N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide

C₁₂H₁₃ClN₄O — CID 16791927

About N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide

N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide (PubChem CID 16791927) has the molecular formula C₁₂H₁₃ClN₄O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

• Compound Name: N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
• PubChem CID: 16791927
• Molecular Formula: C₁₂H₁₃ClN₄O
• Molecular Weight: 264.72 g/mol
• Exact Mass: 264.08
• IUPAC Name: N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
• SMILES: Nc1cc(NC(=O)CCn2ccnc2)ccc1Cl
• InChI: InChI=1S/C12H13ClN4O/c13-10-2-1-9(7-11(10)14)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5,14H2,(H,16,18)
• InChIKey: VXPROMSRPZHYLH-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.72
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?

The IUPAC name of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide (CID 16791927) is N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide.

What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?

The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide is Nc1cc(NC(=O)CCn2ccnc2)ccc1Cl.

What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?

The InChIKey is VXPROMSRPZHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-10-2-1-9(7-11(10)14)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5,14H2,(H,16,18).

What are the key properties of N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide?

N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 264.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 16791927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16791927 — identifiers, structure, computed properties (public domain)

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