7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine

C15H12F3N3 — CID 115552254

IUPAC7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccccc3C(F)(F)F)c12
InChIInChI=1S/C15H12F3N3/c1-9-5-4-7-11-13(9)21(14(19)20-11)12-8-3-2-6-10(12)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyOXCDQCUZWFIBJK-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.93
Rot. Bonds1

About 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine

7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 115552254) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID115552254
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3ccccc3C(F)(F)F)c12
InChIInChI=1S/C15H12F3N3/c1-9-5-4-7-11-13(9)21(14(19)20-11)12-8-3-2-6-10(12)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyOXCDQCUZWFIBJK-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 115552254) is 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine is Cc1cccc2nc(N)n(-c3ccccc3C(F)(F)F)c12.
What is the InChIKey of 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is OXCDQCUZWFIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-5-4-7-11-13(9)21(14(19)20-11)12-8-3-2-6-10(12)15(16,17)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine?
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 291.28 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 115552254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).