1-(6-acetyl-1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea

CovInDB Inhibitor

CI005360

Name

1-(6-acetyl-1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea

Molecular Formula

C₁₈H₁₈N₄O₃

Molecular Weight

338.1378904 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

1-(6-acetyl-1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)methyl]urea

InChI

InChI=1S/C18H18N4O3/c1-11(23)13-5-8-15-16(9-13)21-17(20-15)22-18(24)19-10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H3,19,20,21,22,24)

InChI Key

VRKSXCLSFDLEQM-UHFFFAOYSA-N

Canonical SMILES

COc1ccc(CNC(=O)Nc2nc3ccc(C(C)=O)cc3[nH]2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

338.1378904 g/mol

Computed by RDKit

logP

2.243

Computed by ALOGPS

logS

-4.199

Computed by ALOGPS

Heavy Atom Count

25

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

3

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

96.11 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.