2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

C14H7BrClFN2O2 — CID 107989457

IUPAC2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F
InChIInChI=1S/C14H7BrClFN2O2/c15-8-3-6(1-2-9(8)16)13-18-11-4-7(14(20)21)10(17)5-12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyPKBRNTHHKOFQDF-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.48
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (PubChem CID 107989457) has the molecular formula C14H7BrClFN2O2 and a molecular weight of 369.58 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
PubChem CID107989457
Molecular FormulaC14H7BrClFN2O2
Molecular Weight369.58 g/mol
Exact Mass367.94
IUPAC Name2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F
InChIInChI=1S/C14H7BrClFN2O2/c15-8-3-6(1-2-9(8)16)13-18-11-4-7(14(20)21)10(17)5-12(11)19-13/h1-5H,(H,18,19)(H,20,21)
InChIKeyPKBRNTHHKOFQDF-UHFFFAOYSA-N
XLogP4.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107963408
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686806
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
CID 113398072
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1H-benzimidazole-5-carboxamide
CID 122690335
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid (CID 107989457) is 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
The InChIKey is PKBRNTHHKOFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O2/c15-8-3-6(1-2-9(8)16)13-18-11-4-7(14(20)21)10(17)5-12(11)19-13/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid?
2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid has a molecular weight of 369.58 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 107989457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).