2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine

C13H13F2N3 — CID 63668733

IUPAC2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
SMILESCn1c(C2CC2)nc(-c2cccc(F)c2F)c1N
InChIInChI=1S/C13H13F2N3/c1-18-12(16)11(17-13(18)7-5-6-7)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,16H2,1H3
InChIKeyGEXDAXBKGNQNOU-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.82
Rot. Bonds2

About 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine

2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine (PubChem CID 63668733) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
PubChem CID63668733
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
SMILESCn1c(C2CC2)nc(-c2cccc(F)c2F)c1N
InChIInChI=1S/C13H13F2N3/c1-18-12(16)11(17-13(18)7-5-6-7)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,16H2,1H3
InChIKeyGEXDAXBKGNQNOU-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine (CID 63668733) is 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine is Cn1c(C2CC2)nc(-c2cccc(F)c2F)c1N.
What is the InChIKey of 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine?
The InChIKey is GEXDAXBKGNQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-18-12(16)11(17-13(18)7-5-6-7)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,16H2,1H3.
What are the key properties of 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine?
2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 63668733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).