[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate

C22H14Cl2N2O3 — CID 21204758

IUPAC[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2N2O3/c23-16-9-5-14(6-10-16)21(27)26-19-4-2-1-3-18(19)25-20(26)13-29-22(28)15-7-11-17(24)12-8-15/h1-12H,13H2
InChIKeyQDVGOZKZNYEAEY-UHFFFAOYSA-N
MW425.27 g/mol
LogP5.39
Rot. Bonds4

About [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate

[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate (PubChem CID 21204758) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
PubChem CID21204758
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC Name[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl2N2O3/c23-16-9-5-14(6-10-16)21(27)26-19-4-2-1-3-18(19)25-20(26)13-29-22(28)15-7-11-17(24)12-8-15/h1-12H,13H2
InChIKeyQDVGOZKZNYEAEY-UHFFFAOYSA-N
XLogP5.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16625178
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
(1-methylbenzimidazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 2982999
[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
CID 19256672
4-[1-(4-chlorobenzoyl)benzimidazol-2-yl]benzenesulfonic acid
CID 50907932

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate?
The IUPAC name of [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate (CID 21204758) is [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate.
What is the SMILES notation for [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate?
The canonical SMILES for [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate is O=C(OCc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate?
The InChIKey is QDVGOZKZNYEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c23-16-9-5-14(6-10-16)21(27)26-19-4-2-1-3-18(19)25-20(26)13-29-22(28)15-7-11-17(24)12-8-15/h1-12H,13H2.
What are the key properties of [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate?
[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate has a molecular weight of 425.27 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate is sourced from PubChem (CID 21204758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).