2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine

C15H18F3N3 — CID 62226776

IUPAC2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCCn1c(CC)nc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C15H18F3N3/c1-3-8-21-12(4-2)20-13(14(21)19)10-6-5-7-11(9-10)15(16,17)18/h5-7,9H,3-4,8,19H2,1-2H3
InChIKeyYPOMNKBUQMZYSJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.12
Rot. Bonds4

About 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine

2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine (PubChem CID 62226776) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
PubChem CID62226776
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
SMILESCCCn1c(CC)nc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C15H18F3N3/c1-3-8-21-12(4-2)20-13(14(21)19)10-6-5-7-11(9-10)15(16,17)18/h5-7,9H,3-4,8,19H2,1-2H3
InChIKeyYPOMNKBUQMZYSJ-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
CID 62219554
2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498489
5-(3-cyclopropylphenyl)-2,3-dipropylimidazol-4-amine
CID 79973607
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
CID 62218493
5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62219385
5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226374
2,3-diethyl-5-naphthalen-2-ylimidazol-4-amine
CID 62225265
2-ethyl-5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62224543
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine?
The IUPAC name of 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine (CID 62226776) is 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine.
What is the SMILES notation for 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine?
The canonical SMILES for 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine is CCCn1c(CC)nc(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine?
The InChIKey is YPOMNKBUQMZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-8-21-12(4-2)20-13(14(21)19)10-6-5-7-11(9-10)15(16,17)18/h5-7,9H,3-4,8,19H2,1-2H3.
What are the key properties of 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine?
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine has a molecular weight of 297.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine is sourced from PubChem (CID 62226776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).