4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole

C14H10ClFN2 — CID 91686424

IUPAC4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
SMILESCc1cc(Cl)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H10ClFN2/c1-8-6-11(15)13-12(7-8)17-14(18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyKSJDYVPKOIZUKN-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.33
Rot. Bonds1

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

4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole (PubChem CID 91686424) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
PubChem CID91686424
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
SMILESCc1cc(Cl)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H10ClFN2/c1-8-6-11(15)13-12(7-8)17-14(18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyKSJDYVPKOIZUKN-UHFFFAOYSA-N
XLogP4.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
CID 95909526
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686797

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole (CID 91686424) is 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole is Cc1cc(Cl)c2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole?
The InChIKey is KSJDYVPKOIZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-8-6-11(15)13-12(7-8)17-14(18-13)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole?
4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole has a molecular weight of 260.70 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 91686424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).