3-methyl-2-(trifluoromethyl)benzimidazol-4-amine

C9H8F3N3 — CID 84680783

IUPAC3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCn1c(C(F)(F)F)nc2cccc(N)c21
InChIInChI=1S/C9H8F3N3/c1-15-7-5(13)3-2-4-6(7)14-8(15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyWITCXRXWVSTTGZ-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.17
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine

3-methyl-2-(trifluoromethyl)benzimidazol-4-amine (PubChem CID 84680783) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
PubChem CID84680783
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCn1c(C(F)(F)F)nc2cccc(N)c21
InChIInChI=1S/C9H8F3N3/c1-15-7-5(13)3-2-4-6(7)14-8(15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyWITCXRXWVSTTGZ-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.17
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

ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335893
2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84623361
5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 141383836
3-methyl-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole-4-carboxylic acid
CID 87382828
ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 54058585
1-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridin-8-amine
CID 83869197
7-tert-butyl-1-methylbenzimidazol-2-amine
CID 84620080
3,5-dimethyl-2-(trifluoromethyl)imidazol-4-amine
CID 82373975
2-(trifluoromethyl)quinolin-8-amine
CID 129451588
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine (CID 84680783) is 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine is Cn1c(C(F)(F)F)nc2cccc(N)c21.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The InChIKey is WITCXRXWVSTTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-15-7-5(13)3-2-4-6(7)14-8(15)9(10,11)12/h2-4H,13H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine has a molecular weight of 215.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)benzimidazol-4-amine is sourced from PubChem (CID 84680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).