3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

C29H22Cl2N4O3 — CID 142812647

IUPAC3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc3nc(-c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H22Cl2N4O3/c1-35(29(37)18-5-10-24(38-2)11-6-18)23-9-12-25-26(16-23)34-27(33-25)17-3-7-22(8-4-17)32-28(36)19-13-20(30)15-21(31)14-19/h3-16H,1-2H3,(H,32,36)(H,33,34)
InChIKeyQONCOHUBKHVJSM-UHFFFAOYSA-N
MW545.43 g/mol
LogP7.07
Rot. Bonds6

About 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 142812647) has the molecular formula C29H22Cl2N4O3 and a molecular weight of 545.43 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID142812647
Molecular FormulaC29H22Cl2N4O3
Molecular Weight545.43 g/mol
Exact Mass544.11
IUPAC Name3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc3nc(-c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H22Cl2N4O3/c1-35(29(37)18-5-10-24(38-2)11-6-18)23-9-12-25-26(16-23)34-27(33-25)17-3-7-22(8-4-17)32-28(36)19-13-20(30)15-21(31)14-19/h3-16H,1-2H3,(H,32,36)(H,33,34)
InChIKeyQONCOHUBKHVJSM-UHFFFAOYSA-N
XLogP7.07
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.43
LogP ≤ 57.07
H-Bond Donors ≤ 52
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-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
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
HhAntag
CID 9911630
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10292206
2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11511483
2-(4-((1-(3,4-dichlorobenzyl)piperidin-3-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11547980

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 142812647) is 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is COc1ccc(C(=O)N(C)c2ccc3nc(-c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)[nH]c3c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is QONCOHUBKHVJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N4O3/c1-35(29(37)18-5-10-24(38-2)11-6-18)23-9-12-25-26(16-23)34-27(33-25)17-3-7-22(8-4-17)32-28(36)19-13-20(30)15-21(31)14-19/h3-16H,1-2H3,(H,32,36)(H,33,34).
What are the key properties of 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?
3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 545.43 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[6-[(4-methoxybenzoyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 142812647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).