N-methyl-3-(5-phenylimidazol-1-yl)propanamide

C13H15N3O — CID 58294227

IUPACN-methyl-3-(5-phenylimidazol-1-yl)propanamide
SMILESCNC(=O)CCn1cncc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-14-13(17)7-8-16-10-15-9-12(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)
InChIKeyVQOKNMKVUIZLSO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-3-(5-phenylimidazol-1-yl)propanamide

N-methyl-3-(5-phenylimidazol-1-yl)propanamide (PubChem CID 58294227) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-3-(5-phenylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(5-phenylimidazol-1-yl)propanamide
PubChem CID58294227
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-3-(5-phenylimidazol-1-yl)propanamide
SMILESCNC(=O)CCn1cncc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-14-13(17)7-8-16-10-15-9-12(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)
InChIKeyVQOKNMKVUIZLSO-UHFFFAOYSA-N
XLogP1.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-phenylimidazol-1-yl)propanamide?
The IUPAC name of N-methyl-3-(5-phenylimidazol-1-yl)propanamide (CID 58294227) is N-methyl-3-(5-phenylimidazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(5-phenylimidazol-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(5-phenylimidazol-1-yl)propanamide is CNC(=O)CCn1cncc1-c1ccccc1.
What is the InChIKey of N-methyl-3-(5-phenylimidazol-1-yl)propanamide?
The InChIKey is VQOKNMKVUIZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-13(17)7-8-16-10-15-9-12(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17).
What are the key properties of N-methyl-3-(5-phenylimidazol-1-yl)propanamide?
N-methyl-3-(5-phenylimidazol-1-yl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-phenylimidazol-1-yl)propanamide is sourced from PubChem (CID 58294227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).