2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole

C15H13FN2 — CID 56773179

IUPAC2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C15H13FN2/c1-9-7-10(2)14-13(8-9)17-15(18-14)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18)
InChIKeyZNVDFMGUUFHYOR-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.99
Rot. Bonds1

About 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole

2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 56773179) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID56773179
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C15H13FN2/c1-9-7-10(2)14-13(8-9)17-15(18-14)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18)
InChIKeyZNVDFMGUUFHYOR-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
CID 91686424
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 82947476
5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole (CID 56773179) is 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is ZNVDFMGUUFHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-9-7-10(2)14-13(8-9)17-15(18-14)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 240.28 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 56773179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).