1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one

C13H14N2O2 — CID 82115600

IUPAC1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O2/c1-17-12-5-3-2-4-11(12)6-7-13(16)15-9-8-14-10-15/h2-5,8-10H,6-7H2,1H3
InChIKeyZKHDVVZVURTLHB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.16
Rot. Bonds4

About 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one

1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one (PubChem CID 82115600) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
PubChem CID82115600
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O2/c1-17-12-5-3-2-4-11(12)6-7-13(16)15-9-8-14-10-15/h2-5,8-10H,6-7H2,1H3
InChIKeyZKHDVVZVURTLHB-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
CID 82116358
1-(benzotriazol-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 58271079
(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95550232
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one (CID 82115600) is 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is ZKHDVVZVURTLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-5-3-2-4-11(12)6-7-13(16)15-9-8-14-10-15/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one?
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 230.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).