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

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 2236365
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 4161341
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894

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).