N-(4-Methylphenyl)-1H-imidazole-1-carboxamide

Inhibitor information

CovInDB Inhibitor
CI000647
Name
N-(4-Methylphenyl)-1H-imidazole-1-carboxamide
Molecular Formula
C11H11N3O
Molecular Weight
201.22 g/mol
Structure
2D structure
  Warhead   Similar Compounds
IUPAC Name
N-(p-tolyl)imidazole-1-carboxamide
InChI
InChI=1S/C11H11N3O/c1-9-2-4-10(5-3-9)13-11(15)14-7-6-12-8-14/h2-8H,1H3,(H,13,15)
InChI Key
YRANLZRITBCDDC-UHFFFAOYSA-N
Canonical SMILES
Cc1ccc(NC(=O)n2ccnc2)cc1
Cocrystal structures
No cocrystal structures found for this inhibitor.


Calculated Properties

Molecular Weight

201.22 g/mol

Computed by RDKit

logP

1.53

Computed by ALOGPS

logS

-2.21

Computed by ALOGPS

Heavy Atom Count

15

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

  Download

ZC735245

Similarity Score: 0.57

ZC1327697

Similarity Score: 0.53

ZC2249391

Similarity Score: 0.53



Similar Natural compounds

No similar natural compounds found for this inhibitor.