3-[2-(4-aminophenyl)imidazol-1-yl]propanamide

C12H14N4O — CID 60998965

IUPAC3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
SMILESNC(=O)CCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)12-15-6-8-16(12)7-5-11(14)17/h1-4,6,8H,5,7,13H2,(H2,14,17)
InChIKeyQPEWFIDEYINHIR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.01
Rot. Bonds4

About 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide

3-[2-(4-aminophenyl)imidazol-1-yl]propanamide (PubChem CID 60998965) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
PubChem CID60998965
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
SMILESNC(=O)CCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)12-15-6-8-16(12)7-5-11(14)17/h1-4,6,8H,5,7,13H2,(H2,14,17)
InChIKeyQPEWFIDEYINHIR-UHFFFAOYSA-N
XLogP1.01
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide?
The IUPAC name of 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide (CID 60998965) is 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide?
The canonical SMILES for 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide is NC(=O)CCn1ccnc1-c1ccc(N)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide?
The InChIKey is QPEWFIDEYINHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)12-15-6-8-16(12)7-5-11(14)17/h1-4,6,8H,5,7,13H2,(H2,14,17).
What are the key properties of 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide?
3-[2-(4-aminophenyl)imidazol-1-yl]propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 60998965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).