3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole

C21H17F3N2 — CID 140794361

IUPAC3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
SMILESCc1ccccc1N1CN(c2ccccc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C21H17F3N2/c1-15-8-5-6-12-18(15)26-14-25(16-9-3-2-4-10-16)19-13-7-11-17(20(19)26)21(22,23)24/h2-13H,14H2,1H3
InChIKeyFCAAQZRALJRYBU-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.26
Rot. Bonds2

About 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole

3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole (PubChem CID 140794361) has the molecular formula C21H17F3N2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
PubChem CID140794361
Molecular FormulaC21H17F3N2
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
SMILESCc1ccccc1N1CN(c2ccccc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C21H17F3N2/c1-15-8-5-6-12-18(15)26-14-25(16-9-3-2-4-10-16)19-13-7-11-17(20(19)26)21(22,23)24/h2-13H,14H2,1H3
InChIKeyFCAAQZRALJRYBU-UHFFFAOYSA-N
XLogP6.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 129192336
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
5-(2-methylphenyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743664
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
CID 153430458
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
4-amino-1-[2-methyl-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168699945
1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole
CID 58059093
2-methyl-6-(trifluoromethyl)phenol
CID 14672062

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole?
The IUPAC name of 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole (CID 140794361) is 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole.
What is the SMILES notation for 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole?
The canonical SMILES for 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole is Cc1ccccc1N1CN(c2ccccc2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole?
The InChIKey is FCAAQZRALJRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2/c1-15-8-5-6-12-18(15)26-14-25(16-9-3-2-4-10-16)19-13-7-11-17(20(19)26)21(22,23)24/h2-13H,14H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole?
3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole has a molecular weight of 354.38 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole is sourced from PubChem (CID 140794361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).