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

C15H17F2N3 — CID 62218355

IUPAC3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)c(F)c2)c(N)n1C1CC1
InChIInChI=1S/C15H17F2N3/c1-2-3-13-19-14(15(18)20(13)10-5-6-10)9-4-7-11(16)12(17)8-9/h4,7-8,10H,2-3,5-6,18H2,1H3
InChIKeyJDBYXNLKKYYPDC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.70
Rot. Bonds4

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

3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine (PubChem CID 62218355) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine
PubChem CID62218355
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccc(F)c(F)c2)c(N)n1C1CC1
InChIInChI=1S/C15H17F2N3/c1-2-3-13-19-14(15(18)20(13)10-5-6-10)9-4-7-11(16)12(17)8-9/h4,7-8,10H,2-3,5-6,18H2,1H3
InChIKeyJDBYXNLKKYYPDC-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine (CID 62218355) is 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine is CCCc1nc(-c2ccc(F)c(F)c2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine?
The InChIKey is JDBYXNLKKYYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-2-3-13-19-14(15(18)20(13)10-5-6-10)9-4-7-11(16)12(17)8-9/h4,7-8,10H,2-3,5-6,18H2,1H3.
What are the key properties of 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine?
3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine has a molecular weight of 277.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3,4-difluorophenyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 62218355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).