4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine

C12H14F2N4 — CID 62507095

IUPAC4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cc(F)ccc2F)c(N)n1N
InChIInChI=1S/C12H14F2N4/c1-2-3-10-17-11(12(15)18(10)16)8-6-7(13)4-5-9(8)14/h4-6H,2-3,15-16H2,1H3
InChIKeyKNWXXLSSYGUSGT-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.08
Rot. Bonds3

About 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine

4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine (PubChem CID 62507095) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine
PubChem CID62507095
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cc(F)ccc2F)c(N)n1N
InChIInChI=1S/C12H14F2N4/c1-2-3-10-17-11(12(15)18(10)16)8-6-7(13)4-5-9(8)14/h4-6H,2-3,15-16H2,1H3
InChIKeyKNWXXLSSYGUSGT-UHFFFAOYSA-N
XLogP2.08
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine?
The IUPAC name of 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine (CID 62507095) is 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine is CCCc1nc(-c2cc(F)ccc2F)c(N)n1N.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine?
The InChIKey is KNWXXLSSYGUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-2-3-10-17-11(12(15)18(10)16)8-6-7(13)4-5-9(8)14/h4-6H,2-3,15-16H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine?
4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine has a molecular weight of 252.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine is sourced from PubChem (CID 62507095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).