2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C13H16F3N3 — CID 46310801

IUPAC2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCCCn1c(CCN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3N3/c1-2-7-19-11-4-3-9(13(14,15)16)8-10(11)18-12(19)5-6-17/h3-4,8H,2,5-7,17H2,1H3
InChIKeyLPLIEHJICFJDBK-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.97
Rot. Bonds4

About 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 46310801) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID46310801
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCCCn1c(CCN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3N3/c1-2-7-19-11-4-3-9(13(14,15)16)8-10(11)18-12(19)5-6-17/h3-4,8H,2,5-7,17H2,1H3
InChIKeyLPLIEHJICFJDBK-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.97
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
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46309591
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzimidazole
CID 115502173
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
CID 46309336

Frequently Asked Questions

What is the IUPAC name of 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 46310801) is 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is CCCn1c(CCN)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is LPLIEHJICFJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-2-7-19-11-4-3-9(13(14,15)16)8-10(11)18-12(19)5-6-17/h3-4,8H,2,5-7,17H2,1H3.
What are the key properties of 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 271.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46310801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).