2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole

C13H7ClF2N2 — CID 113227780

IUPAC2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cl)c(F)c3)[nH]c2c1
InChIInChI=1S/C13H7ClF2N2/c14-9-3-1-7(5-10(9)16)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyNZETZISQCRHKOP-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.16
Rot. Bonds1

About 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole

2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 113227780) has the molecular formula C13H7ClF2N2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID113227780
Molecular FormulaC13H7ClF2N2
Molecular Weight264.66 g/mol
Exact Mass264.03
IUPAC Name2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cl)c(F)c3)[nH]c2c1
InChIInChI=1S/C13H7ClF2N2/c14-9-3-1-7(5-10(9)16)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyNZETZISQCRHKOP-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole (CID 113227780) is 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole is Fc1ccc2nc(-c3ccc(Cl)c(F)c3)[nH]c2c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is NZETZISQCRHKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2/c14-9-3-1-7(5-10(9)16)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole?
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 264.66 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 113227780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).