1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one

C13H14N2O — CID 177241374

IUPAC1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1ncn(C)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(16)8-12-13(15(2)9-14-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyNSHXWCQAJVGLFT-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.22
Rot. Bonds3

About 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one

1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one (PubChem CID 177241374) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one
PubChem CID177241374
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1ncn(C)c1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(16)8-12-13(15(2)9-14-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyNSHXWCQAJVGLFT-UHFFFAOYSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one (CID 177241374) is 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one is CC(=O)Cc1ncn(C)c1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one?
The InChIKey is NSHXWCQAJVGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(16)8-12-13(15(2)9-14-12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one?
1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-phenylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 177241374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).