2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide

C16H22N4O — CID 60814510

IUPAC2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)16(21)12(3)20-10-9-18-15(20)13-7-6-8-14(17)11-13/h6-12H,4-5,17H2,1-3H3
InChIKeyIVOHQOVIMFELET-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide

2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide (PubChem CID 60814510) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
PubChem CID60814510
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1ccnc1-c1cccc(N)c1
InChIInChI=1S/C16H22N4O/c1-4-19(5-2)16(21)12(3)20-10-9-18-15(20)13-7-6-8-14(17)11-13/h6-12H,4-5,17H2,1-3H3
InChIKeyIVOHQOVIMFELET-UHFFFAOYSA-N
XLogP2.56
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide (CID 60814510) is 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1ccnc1-c1cccc(N)c1.
What is the InChIKey of 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide?
The InChIKey is IVOHQOVIMFELET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(5-2)16(21)12(3)20-10-9-18-15(20)13-7-6-8-14(17)11-13/h6-12H,4-5,17H2,1-3H3.
What are the key properties of 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide?
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 60814510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).