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

C16H19F2N3 — CID 62218779

IUPAC3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCC(C)(C)n1c(C2CC2)nc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C16H19F2N3/c1-16(2,3)21-14(19)13(20-15(21)9-4-5-9)11-7-6-10(17)8-12(11)18/h6-9H,4-5,19H2,1-3H3
InChIKeyYVYUVHLGYUYNCX-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds2

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

3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine (PubChem CID 62218779) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
PubChem CID62218779
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
SMILESCC(C)(C)n1c(C2CC2)nc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C16H19F2N3/c1-16(2,3)21-14(19)13(20-15(21)9-4-5-9)11-7-6-10(17)8-12(11)18/h6-9H,4-5,19H2,1-3H3
InChIKeyYVYUVHLGYUYNCX-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-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62219308
2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62219892
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
CID 66116831
4-(4-bromo-2-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
CID 63467682
3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
CID 114859771
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
2-(2,4-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 63616783
2-cyclopropyl-4-(2,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483621
5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
CID 114064546

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine (CID 62218779) is 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine is CC(C)(C)n1c(C2CC2)nc(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
The InChIKey is YVYUVHLGYUYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-16(2,3)21-14(19)13(20-15(21)9-4-5-9)11-7-6-10(17)8-12(11)18/h6-9H,4-5,19H2,1-3H3.
What are the key properties of 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine?
3-tert-butyl-2-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 3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine is sourced from PubChem (CID 62218779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).