2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine

C9H8F3N3 — CID 162553480

IUPAC2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
SMILESCc1nc2cc(N)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H8F3N3/c1-4-14-7-2-5(9(10,11)12)6(13)3-8(7)15-4/h2-3H,13H2,1H3,(H,14,15)
InChIKeySIRBJUKOLLDEMX-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.47
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine

2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine (PubChem CID 162553480) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
PubChem CID162553480
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
SMILESCc1nc2cc(N)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H8F3N3/c1-4-14-7-2-5(9(10,11)12)6(13)3-8(7)15-4/h2-3H,13H2,1H3,(H,14,15)
InChIKeySIRBJUKOLLDEMX-UHFFFAOYSA-N
XLogP2.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine
CID 14281417
4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-(trifluoromethyl)aniline
CID 166047782
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
CID 162540560
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 130051716
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
6-bromo-2,5-dimethyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097192
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
2-bromo-5-chloro-6-(trifluoromethyl)-1H-benzimidazole
CID 130053401
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine (CID 162553480) is 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine is Cc1nc2cc(N)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine?
The InChIKey is SIRBJUKOLLDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-4-14-7-2-5(9(10,11)12)6(13)3-8(7)15-4/h2-3H,13H2,1H3,(H,14,15).
What are the key properties of 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine?
2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine has a molecular weight of 215.18 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine is sourced from PubChem (CID 162553480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).