1H-Imidazole-1-carboxamide, N-phenyl-

Inhibitor information

CovInDB Inhibitor
CI000646
Name
1H-Imidazole-1-carboxamide, N-phenyl-
Molecular Formula
C10H9N3O
Molecular Weight
187.2 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
N-phenylimidazole-1-carboxamide
InChI
InChI=1S/C10H9N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h1-8H,(H,12,14)
InChI Key
KPPADAGTNGHGBR-UHFFFAOYSA-N
Canonical SMILES
O=C(Nc1ccccc1)n1ccnc1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

187.2 g/mol

Computed by RDKit

logP

1.21

Computed by ALOGPS

logS

-1.93

Computed by ALOGPS

Heavy Atom Count

14

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

1

Computed by RDKit

Topological Polar Surface Area

46.92 Å2

Computed by RDKit



3D Structure

  Show Warhead


targets

Name ID Warhead Reaction Mechanism Target Site Activity Type Relation Value Unit Experiment Method Assay Reference


Similar compounds in Virtual Screening library

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ZC191354

Similarity Score: 0.53

ZC277136

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ZC811338

Similarity Score: 0.51

ZC2162628

Similarity Score: 0.51



Similar Natural compounds

No similar natural compounds found for this inhibitor.