3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one

C13H14N2O — CID 14987249

IUPAC3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10-12(15-9-14-10)7-8-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyZDZPXPAPFFHFMV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.53
Rot. Bonds4

About 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one

3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one (PubChem CID 14987249) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one
PubChem CID14987249
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one
SMILESCc1[nH]cnc1CCC(=O)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10-12(15-9-14-10)7-8-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyZDZPXPAPFFHFMV-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-enedioic acid;1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
CID 67900363
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-quinolin-4-ylpropan-1-one
CID 67900325
(Z)-but-2-enedioic acid;1-(2-hydroxynaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one
CID 67900366
(Z)-but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-ylindol-3-yl)propan-1-one
CID 70056235
(Z)-but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
CID 70055807
1-(1-benzofuran-2-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one;but-2-enedioic acid
CID 67900227
but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindazol-3-yl)propan-1-one
CID 67900118
but-2-enedioic acid;methyl 3-[3-(5-methyl-1H-imidazol-4-yl)propanoyl]indole-1-carboxylate
CID 70040527
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
CID 19775949
1-phenylbutan-1-one
CID 10315

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one (CID 14987249) is 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one is Cc1[nH]cnc1CCC(=O)c1ccccc1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one?
The InChIKey is ZDZPXPAPFFHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-12(15-9-14-10)7-8-13(16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one?
3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 14987249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).