3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine

C15H19F2N3 — CID 62218493

IUPAC3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2c(F)cccc2F)c1N
InChIInChI=1S/C15H19F2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)13-10(16)7-6-8-11(13)17/h6-8H,3-5,9,18H2,1-2H3
InChIKeyXSLSLNIBTUXYRD-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.77
Rot. Bonds5

About 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine

3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine (PubChem CID 62218493) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
PubChem CID62218493
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2c(F)cccc2F)c1N
InChIInChI=1S/C15H19F2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)13-10(16)7-6-8-11(13)17/h6-8H,3-5,9,18H2,1-2H3
InChIKeyXSLSLNIBTUXYRD-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-2-ethyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62219729
5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218853
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 63468172
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354
3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
CID 62219554
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
CID 63468358
3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
CID 63467991
3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
CID 114488589
3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
CID 62881439
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
CID 63468177
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
3-butyl-2-ethyl-5-(1-phenylethyl)imidazol-4-amine
CID 62220637

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine (CID 62218493) is 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine is CCCCn1c(CC)nc(-c2c(F)cccc2F)c1N.
What is the InChIKey of 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine?
The InChIKey is XSLSLNIBTUXYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)13-10(16)7-6-8-11(13)17/h6-8H,3-5,9,18H2,1-2H3.
What are the key properties of 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine?
3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine has a molecular weight of 279.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62218493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).