3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one

C18H18N2O2 — CID 134104791

IUPAC3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
SMILESCc1cn(-c2cccc(OCc3ccccc3)c2)c(=O)n1C
InChIInChI=1S/C18H18N2O2/c1-14-12-20(18(21)19(14)2)16-9-6-10-17(11-16)22-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3
InChIKeyKPHQHMYZXZEWKS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.06
Rot. Bonds4

About 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one

3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one (PubChem CID 134104791) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
PubChem CID134104791
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
SMILESCc1cn(-c2cccc(OCc3ccccc3)c2)c(=O)n1C
InChIInChI=1S/C18H18N2O2/c1-14-12-20(18(21)19(14)2)16-9-6-10-17(11-16)22-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3
InChIKeyKPHQHMYZXZEWKS-UHFFFAOYSA-N
XLogP3.06
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one
CID 134104792
1-[3-(methoxymethoxy)phenyl]-4-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
CID 139963681
1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
CID 70827960
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
CID 91419873
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
1-phenylmethoxy-3-propylbenzene
CID 58977798
methyl 3-amino-4-cyano-1-(3-phenylmethoxyphenyl)pyrrole-2-carboxylate
CID 168545662

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one?
The IUPAC name of 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one (CID 134104791) is 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one.
What is the SMILES notation for 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one?
The canonical SMILES for 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one is Cc1cn(-c2cccc(OCc3ccccc3)c2)c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one?
The InChIKey is KPHQHMYZXZEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-12-20(18(21)19(14)2)16-9-6-10-17(11-16)22-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one?
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one is sourced from PubChem (CID 134104791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).