5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine

C16H21F2N3 — CID 62218894

IUPAC5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2F)c(N)n1CC(C)C
InChIInChI=1S/C16H21F2N3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-7-6-11(17)8-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeyZUYLNKKKQOPGIL-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.02
Rot. Bonds5

About 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine

5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine (PubChem CID 62218894) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
PubChem CID62218894
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2F)c(N)n1CC(C)C
InChIInChI=1S/C16H21F2N3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-7-6-11(17)8-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeyZUYLNKKKQOPGIL-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine (CID 62218894) is 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine is CCCc1nc(-c2ccc(F)cc2F)c(N)n1CC(C)C.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The InChIKey is ZUYLNKKKQOPGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-7-6-11(17)8-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3.
What are the key properties of 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine has a molecular weight of 293.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 62218894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).