2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid

C19H19ClN2O2 — CID 142760440

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-17(19(23)24)22-16-6-4-3-5-15(16)21-18(22)13-7-9-14(20)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,23,24)
InChIKeyONNIPDBQZCKEDJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid (PubChem CID 142760440) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
PubChem CID142760440
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-12(2)11-17(19(23)24)22-16-6-4-3-5-15(16)21-18(22)13-7-9-14(20)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,23,24)
InChIKeyONNIPDBQZCKEDJ-UHFFFAOYSA-N
XLogP5.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-6-yl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760442
(1-carbamoylcyclohexyl) (2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoate
CID 175290066
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
CID 82162057
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
(1-carbamoylcyclohexyl) 2-[2-(4-acetylphenyl)benzimidazol-1-yl]-4-methylpentanoate
CID 90785787
4-(4-chlorophenyl)-1-phenyl-4-(2-phenylbenzimidazol-1-yl)butan-1-one
CID 132547870
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
CID 135844964
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17001117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid (CID 142760440) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid?
The InChIKey is ONNIPDBQZCKEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12(2)11-17(19(23)24)22-16-6-4-3-5-15(16)21-18(22)13-7-9-14(20)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid has a molecular weight of 342.83 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid is sourced from PubChem (CID 142760440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).