1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole

C16H14ClFN2 — CID 115569491

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(F)cc3Cl)c2cc1C
InChIInChI=1S/C16H14ClFN2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(18)7-14(12)17/h3-7,9H,8H2,1-2H3
InChIKeyOVSUKUYGMZRGQM-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.49
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole

1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 115569491) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID115569491
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(F)cc3Cl)c2cc1C
InChIInChI=1S/C16H14ClFN2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(18)7-14(12)17/h3-7,9H,8H2,1-2H3
InChIKeyOVSUKUYGMZRGQM-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 962381
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 79240743
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728920
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 700936
3-[(2-chloro-5-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102619555
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole (CID 115569491) is 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3ccc(F)cc3Cl)c2cc1C.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is OVSUKUYGMZRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(18)7-14(12)17/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 288.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 115569491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).