N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C28H21ClN4O3 — CID 20740070

IUPACN-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN4O3/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyWBRITEMOEAOGEO-UHFFFAOYSA-N
MW496.95 g/mol
LogP6.40
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 20740070) has the molecular formula C28H21ClN4O3 and a molecular weight of 496.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID20740070
Molecular FormulaC28H21ClN4O3
Molecular Weight496.95 g/mol
Exact Mass496.13
IUPAC NameN-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H21ClN4O3/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyWBRITEMOEAOGEO-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 20740070) is N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WBRITEMOEAOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O3/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide 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-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20740070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).