1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone

C23H17ClN2O3 — CID 45029096

IUPAC1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClN2O3/c1-29-18-12-8-16(9-13-18)22(28)23-25-19-4-2-3-5-20(19)26(23)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyOMNKHZNBQPNIHA-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.81
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone

1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone (PubChem CID 45029096) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone
PubChem CID45029096
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClN2O3/c1-29-18-12-8-16(9-13-18)22(28)23-25-19-4-2-3-5-20(19)26(23)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKeyOMNKHZNBQPNIHA-UHFFFAOYSA-N
XLogP4.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}-3-Fluorobenzoic Acid
CID 126962415
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}benzoic Acid
CID 126962416
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
2-((1E)-2-{1-[(2-chlorophenyl)methyl]benzimidazol-2-yl}vinyl)furan
CID 6082354
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-1H-benzimidazole-5-carboxamide
CID 22181310
(2-Tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
CID 134133618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone (CID 45029096) is 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone is COc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone?
The InChIKey is OMNKHZNBQPNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-29-18-12-8-16(9-13-18)22(28)23-25-19-4-2-3-5-20(19)26(23)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone?
1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone has a molecular weight of 404.85 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 45029096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).