4-(3-fluorophenyl)-2-methyl-1H-benzimidazole

C14H11FN2 — CID 70914004

IUPAC4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyVTSGEGYXQTWCNF-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.68
Rot. Bonds1

About 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole

4-(3-fluorophenyl)-2-methyl-1H-benzimidazole (PubChem CID 70914004) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
PubChem CID70914004
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyVTSGEGYXQTWCNF-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
CID 154654255
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
4-(3-fluorophenyl)-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 154654111
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
N-[[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136942460
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-N-methyl-1-(oxan-2-yl)pyrazol-4-amine
CID 154998794
4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 142770245

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole (CID 70914004) is 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole is Cc1nc2c(-c3cccc(F)c3)cccc2[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The InChIKey is VTSGEGYXQTWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole has a molecular weight of 226.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 70914004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).