2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine

C13H16F3N3 — CID 81456011

IUPAC2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C13H16F3N3/c1-3-8(7-17)12-18-10-6-9(13(14,15)16)4-5-11(10)19(12)2/h4-6,8H,3,7,17H2,1-2H3
InChIKeyMAOPVUMMBJKTBP-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.04
Rot. Bonds3

About 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine (PubChem CID 81456011) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
PubChem CID81456011
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C13H16F3N3/c1-3-8(7-17)12-18-10-6-9(13(14,15)16)4-5-11(10)19(12)2/h4-6,8H,3,7,17H2,1-2H3
InChIKeyMAOPVUMMBJKTBP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine (CID 81456011) is 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine is CCC(CN)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The InChIKey is MAOPVUMMBJKTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-3-8(7-17)12-18-10-6-9(13(14,15)16)4-5-11(10)19(12)2/h4-6,8H,3,7,17H2,1-2H3.
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine has a molecular weight of 271.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 81456011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).