N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide

C28H21ClN4O3 — CID 20694999

IUPACN-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN4O3/c1-36-23-13-6-19(7-14-23)27(34)30-21-10-4-17(5-11-21)26-32-24-15-12-22(16-25(24)33-26)31-28(35)18-2-8-20(29)9-3-18/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyRIJAOYJDARUYCO-UHFFFAOYSA-N
MW496.95 g/mol
LogP6.40
Rot. Bonds6

About N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide

N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 20694999) has the molecular formula C28H21ClN4O3 and a molecular weight of 496.95 g/mol. Its IUPAC name is N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide
PubChem CID20694999
Molecular FormulaC28H21ClN4O3
Molecular Weight496.95 g/mol
Exact Mass496.13
IUPAC NameN-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN4O3/c1-36-23-13-6-19(7-14-23)27(34)30-21-10-4-17(5-11-21)26-32-24-15-12-22(16-25(24)33-26)31-28(35)18-2-8-20(29)9-3-18/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyRIJAOYJDARUYCO-UHFFFAOYSA-N
XLogP6.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide (CID 20694999) is N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide?
The InChIKey is RIJAOYJDARUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3/c1-36-23-13-6-19(7-14-23)27(34)30-21-10-4-17(5-11-21)26-32-24-15-12-22(16-25(24)33-26)31-28(35)18-2-8-20(29)9-3-18/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide?
N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 496.95 g/mol, XLogP of 6.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 20694999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).