2-[2-(3-methylphenyl)imidazol-1-yl]propanamide

C13H15N3O — CID 82559003

IUPAC2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
SMILESCc1cccc(-c2nccn2C(C)C(N)=O)c1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-11(8-9)13-15-6-7-16(13)10(2)12(14)17/h3-8,10H,1-2H3,(H2,14,17)
InChIKeyCVUDWHULOWVHSY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.90
Rot. Bonds3

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

2-[2-(3-methylphenyl)imidazol-1-yl]propanamide (PubChem CID 82559003) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
PubChem CID82559003
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
SMILESCc1cccc(-c2nccn2C(C)C(N)=O)c1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-11(8-9)13-15-6-7-16(13)10(2)12(14)17/h3-8,10H,1-2H3,(H2,14,17)
InChIKeyCVUDWHULOWVHSY-UHFFFAOYSA-N
XLogP1.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide?
The IUPAC name of 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide (CID 82559003) is 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide?
The canonical SMILES for 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide is Cc1cccc(-c2nccn2C(C)C(N)=O)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide?
The InChIKey is CVUDWHULOWVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-11(8-9)13-15-6-7-16(13)10(2)12(14)17/h3-8,10H,1-2H3,(H2,14,17).
What are the key properties of 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide?
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 82559003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).