2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine

C16H19F2N3 — CID 62219892

IUPAC2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2F)c(N)n1C1CC1
InChIInChI=1S/C16H19F2N3/c1-16(2,3)15-20-13(14(19)21(15)10-5-6-10)11-7-4-9(17)8-12(11)18/h4,7-8,10H,5-6,19H2,1-3H3
InChIKeyZRKAMXBQPKCWBS-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds2

About 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine

2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine (PubChem CID 62219892) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
PubChem CID62219892
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2F)c(N)n1C1CC1
InChIInChI=1S/C16H19F2N3/c1-16(2,3)15-20-13(14(19)21(15)10-5-6-10)11-7-4-9(17)8-12(11)18/h4,7-8,10H,5-6,19H2,1-3H3
InChIKeyZRKAMXBQPKCWBS-UHFFFAOYSA-N
XLogP4.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
CID 114454475
5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
CID 114064546
3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62218779
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
CID 114859682
2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine
CID 62219710
2-tert-butyl-5-(2,5-difluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62219705
2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine
CID 62219711
2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62220431
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62219308
3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 62224490

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine (CID 62219892) is 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine is CC(C)(C)c1nc(-c2ccc(F)cc2F)c(N)n1C1CC1.
What is the InChIKey of 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The InChIKey is ZRKAMXBQPKCWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-16(2,3)15-20-13(14(19)21(15)10-5-6-10)11-7-4-9(17)8-12(11)18/h4,7-8,10H,5-6,19H2,1-3H3.
What are the key properties of 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine is sourced from PubChem (CID 62219892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).