5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one

C18H18N2O3 — CID 2135734

IUPAC5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-c2cn(-c3cccc(C)c3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)20-11-15(19-18(20)21)13-7-8-16(22-2)17(10-13)23-3/h4-11H,1-3H3,(H,19,21)
InChIKeyFSCILRRKMRKPBQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one

5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one (PubChem CID 2135734) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one
PubChem CID2135734
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one
SMILESCOc1ccc(-c2cn(-c3cccc(C)c3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)20-11-15(19-18(20)21)13-7-8-16(22-2)17(10-13)23-3/h4-11H,1-3H3,(H,19,21)
InChIKeyFSCILRRKMRKPBQ-UHFFFAOYSA-N
XLogP3.16
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one (CID 2135734) is 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one is COc1ccc(-c2cn(-c3cccc(C)c3)c(=O)[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one?
The InChIKey is FSCILRRKMRKPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-4-6-14(9-12)20-11-15(19-18(20)21)13-7-8-16(22-2)17(10-13)23-3/h4-11H,1-3H3,(H,19,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one?
5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 2135734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).