1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine

C15H18F3N3 — CID 162673974

IUPAC1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCCCCn1cc(-c2cccc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C15H18F3N3/c1-2-3-4-8-21-10-13(20-14(21)19)11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10H,2-4,8H2,1H3,(H2,19,20)
InChIKeySMHPBHSDFXOLAY-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.34
Rot. Bonds5

About 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine

1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 162673974) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID162673974
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCCCCCn1cc(-c2cccc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C15H18F3N3/c1-2-3-4-8-21-10-13(20-14(21)19)11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10H,2-4,8H2,1H3,(H2,19,20)
InChIKeySMHPBHSDFXOLAY-UHFFFAOYSA-N
XLogP4.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 115910845
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776
1-butyl-4-hydroxy-6-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 91157202
6-ethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62192267
2-(2-ethylbutyl)-1-sulfanyl-4-[3-(trifluoromethyl)phenyl]imidazole
CID 142070571

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine (CID 162673974) is 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine is CCCCCn1cc(-c2cccc(C(F)(F)F)c2)nc1N.
What is the InChIKey of 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is SMHPBHSDFXOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-3-4-8-21-10-13(20-14(21)19)11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10H,2-4,8H2,1H3,(H2,19,20).
What are the key properties of 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 297.32 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 162673974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).