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

C15H20F3N3 — CID 115430280

IUPAC2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C15H20F3N3/c1-4-14(5-2,9-19)13-20-11-8-10(15(16,17)18)6-7-12(11)21(13)3/h6-8H,4-5,9,19H2,1-3H3
InChIKeyOCUPYHDWZXEJPH-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.61
Rot. Bonds4

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

2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine (PubChem CID 115430280) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
PubChem CID115430280
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C15H20F3N3/c1-4-14(5-2,9-19)13-20-11-8-10(15(16,17)18)6-7-12(11)21(13)3/h6-8H,4-5,9,19H2,1-3H3
InChIKeyOCUPYHDWZXEJPH-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
CID 115430669
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-(5-chloro-1-propylbenzimidazol-2-yl)-2-ethylbutan-1-amine
CID 115430234
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropan-1-ol
CID 84617340
2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 81455058
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 81456809

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine (CID 115430280) is 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine is CCC(CC)(CN)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
The InChIKey is OCUPYHDWZXEJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-4-14(5-2,9-19)13-20-11-8-10(15(16,17)18)6-7-12(11)21(13)3/h6-8H,4-5,9,19H2,1-3H3.
What are the key properties of 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine?
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine has a molecular weight of 299.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 115430280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).