2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide

C12H10F2N4O2 — CID 68970597

IUPAC2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide
SMILESNC(=O)C(C(=O)Nc1ncc[nH]1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N4O2/c13-7-3-6(4-8(14)5-7)9(10(15)19)11(20)18-12-16-1-2-17-12/h1-5,9H,(H2,15,19)(H2,16,17,18,20)
InChIKeyHJLHJWWPTHVOED-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.90
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide

2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide (PubChem CID 68970597) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide
PubChem CID68970597
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide
SMILESNC(=O)C(C(=O)Nc1ncc[nH]1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H10F2N4O2/c13-7-3-6(4-8(14)5-7)9(10(15)19)11(20)18-12-16-1-2-17-12/h1-5,9H,(H2,15,19)(H2,16,17,18,20)
InChIKeyHJLHJWWPTHVOED-UHFFFAOYSA-N
XLogP0.90
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide (CID 68970597) is 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide is NC(=O)C(C(=O)Nc1ncc[nH]1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide?
The InChIKey is HJLHJWWPTHVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-7-3-6(4-8(14)5-7)9(10(15)19)11(20)18-12-16-1-2-17-12/h1-5,9H,(H2,15,19)(H2,16,17,18,20).
What are the key properties of 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide?
2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide has a molecular weight of 280.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N'-(1H-imidazol-2-yl)propanediamide is sourced from PubChem (CID 68970597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).