5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine

C15H19F2N3 — CID 62218853

IUPAC5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCCc1nc(-c2c(F)cccc2F)c(N)n1CC(C)C
InChIInChI=1S/C15H19F2N3/c1-4-12-19-14(15(18)20(12)8-9(2)3)13-10(16)6-5-7-11(13)17/h5-7,9H,4,8,18H2,1-3H3
InChIKeyGZQBYUZAMNCUJG-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.63
Rot. Bonds4

About 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine

5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62218853) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62218853
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCCc1nc(-c2c(F)cccc2F)c(N)n1CC(C)C
InChIInChI=1S/C15H19F2N3/c1-4-12-19-14(15(18)20(12)8-9(2)3)13-10(16)6-5-7-11(13)17/h5-7,9H,4,8,18H2,1-3H3
InChIKeyGZQBYUZAMNCUJG-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine (CID 62218853) is 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine is CCc1nc(-c2c(F)cccc2F)c(N)n1CC(C)C.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is GZQBYUZAMNCUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-12-19-14(15(18)20(12)8-9(2)3)13-10(16)6-5-7-11(13)17/h5-7,9H,4,8,18H2,1-3H3.
What are the key properties of 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 279.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62218853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).