5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide

C23H22ClN5O3 — CID 45490682

IUPAC5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)c1OC
InChIInChI=1S/C23H22ClN5O3/c1-25-23(31)16-12-28(2)19(20(16)32-4)21-27-17-11-15(9-10-18(17)29(21)3)26-22(30)13-5-7-14(24)8-6-13/h5-12H,1-4H3,(H,25,31)(H,26,30)
InChIKeyBHIQJIILJVOOSS-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.85
Rot. Bonds5

About 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide

5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide (PubChem CID 45490682) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
PubChem CID45490682
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)c1OC
InChIInChI=1S/C23H22ClN5O3/c1-25-23(31)16-12-28(2)19(20(16)32-4)21-27-17-11-15(9-10-18(17)29(21)3)26-22(30)13-5-7-14(24)8-6-13/h5-12H,1-4H3,(H,25,31)(H,26,30)
InChIKeyBHIQJIILJVOOSS-UHFFFAOYSA-N
XLogP3.85
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
4-methoxy-N,1-dimethyl-5-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]pyrrole-3-carboxamide
CID 45490504
4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490653
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630
5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
CID 45490733
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75392662

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide (CID 45490682) is 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide is CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)c1OC.
What is the InChIKey of 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The InChIKey is BHIQJIILJVOOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-25-23(31)16-12-28(2)19(20(16)32-4)21-27-17-11-15(9-10-18(17)29(21)3)26-22(30)13-5-7-14(24)8-6-13/h5-12H,1-4H3,(H,25,31)(H,26,30).
What are the key properties of 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45490682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).