2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine

C15H12F3N3 — CID 62506357

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3/c1-9-20-13-8-11(19)4-7-14(13)21(9)12-5-2-10(3-6-12)15(16,17)18/h2-8H,19H2,1H3
InChIKeyGHRUEZUKLFXVTN-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.93
Rot. Bonds1

About 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine

2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine (PubChem CID 62506357) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
PubChem CID62506357
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3/c1-9-20-13-8-11(19)4-7-14(13)21(9)12-5-2-10(3-6-12)15(16,17)18/h2-8H,19H2,1H3
InChIKeyGHRUEZUKLFXVTN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-propoxyphenyl)benzimidazol-5-amine
CID 62506071
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzimidazol-5-amine
CID 62507342
1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
CID 115379110
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
1-(4-bromo-2,6-dimethylphenyl)-2-methylbenzimidazol-5-amine
CID 65499671
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
CID 55080364
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118102023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine (CID 62506357) is 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine?
The InChIKey is GHRUEZUKLFXVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-20-13-8-11(19)4-7-14(13)21(9)12-5-2-10(3-6-12)15(16,17)18/h2-8H,19H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine?
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-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 2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine is sourced from PubChem (CID 62506357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).