2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole

C14H10ClFN2 — CID 54469755

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C14H10ClFN2/c15-11-8-10(16)6-5-9(11)7-14-17-12-3-1-2-4-13(12)18-14/h1-6,8H,7H2,(H,17,18)
InChIKeyXHMBLVKRROTVCG-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.95
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole

2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole (PubChem CID 54469755) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
PubChem CID54469755
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C14H10ClFN2/c15-11-8-10(16)6-5-9(11)7-14-17-12-3-1-2-4-13(12)18-14/h1-6,8H,7H2,(H,17,18)
InChIKeyXHMBLVKRROTVCG-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 66527055
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CID 60978250
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
3-(1H-benzimidazol-2-yl)-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529023
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528976
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrimidine-6-thione
CID 106476395
2-(1H-benzimidazol-2-yl)-N-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66527287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole (CID 54469755) is 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole is Fc1ccc(Cc2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole?
The InChIKey is XHMBLVKRROTVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-11-8-10(16)6-5-9(11)7-14-17-12-3-1-2-4-13(12)18-14/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole?
2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole has a molecular weight of 260.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 54469755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).