2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine

C13H16F3N3 — CID 64673399

IUPAC2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C13H16F3N3/c1-12(2,17)7-11-18-9-5-3-4-6-10(9)19(11)8-13(14,15)16/h3-6H,7-8,17H2,1-2H3
InChIKeySTQSYYGJLFMRJW-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine

2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine (PubChem CID 64673399) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
PubChem CID64673399
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1nc2ccccc2n1CC(F)(F)F
InChIInChI=1S/C13H16F3N3/c1-12(2,17)7-11-18-9-5-3-4-6-10(9)19(11)8-13(14,15)16/h3-6H,7-8,17H2,1-2H3
InChIKeySTQSYYGJLFMRJW-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methyl]ethanamine
CID 55220163
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
CID 106108743
1,2-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 87956901
3-amino-1-(1-ethylbenzimidazol-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593122
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
2-(chloromethyl)-1-(2-methyl-2-methylsulfonylpropyl)benzimidazole
CID 79561713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine (CID 64673399) is 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine is CC(C)(N)Cc1nc2ccccc2n1CC(F)(F)F.
What is the InChIKey of 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine?
The InChIKey is STQSYYGJLFMRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-12(2,17)7-11-18-9-5-3-4-6-10(9)19(11)8-13(14,15)16/h3-6H,7-8,17H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine?
2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine has a molecular weight of 271.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]propan-2-amine is sourced from PubChem (CID 64673399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).