2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole

C13H6BrClF2N2 — CID 107989360

IUPAC2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F
InChIInChI=1S/C13H6BrClF2N2/c14-7-3-6(1-2-8(7)15)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyPNAVVIUKTHYGJM-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.92
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole

2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole (PubChem CID 107989360) has the molecular formula C13H6BrClF2N2 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
PubChem CID107989360
Molecular FormulaC13H6BrClF2N2
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F
InChIInChI=1S/C13H6BrClF2N2/c14-7-3-6(1-2-8(7)15)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19)
InChIKeyPNAVVIUKTHYGJM-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole 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-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107989457
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
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
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole (CID 107989360) is 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2cc1F.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is PNAVVIUKTHYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2N2/c14-7-3-6(1-2-8(7)15)13-18-11-4-9(16)10(17)5-12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole?
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 343.56 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 107989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).