3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one

C19H20N2O2 — CID 134104792

IUPAC3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one
SMILESCc1cn(-c2cccc(OCCc3ccccc3)c2)c(=O)n1C
InChIInChI=1S/C19H20N2O2/c1-15-14-21(19(22)20(15)2)17-9-6-10-18(13-17)23-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyJFCMBAUQAURFJS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.11
Rot. Bonds5

About 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one

3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one (PubChem CID 134104792) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one
PubChem CID134104792
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one
SMILESCc1cn(-c2cccc(OCCc3ccccc3)c2)c(=O)n1C
InChIInChI=1S/C19H20N2O2/c1-15-14-21(19(22)20(15)2)17-9-6-10-18(13-17)23-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyJFCMBAUQAURFJS-UHFFFAOYSA-N
XLogP3.11
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
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2-methyl-1-nitro-4-(2-phenylethoxy)benzene
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1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
2-[3-(2-phenylethoxy)phenoxy]ethylhydrazine
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N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one?
The IUPAC name of 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one (CID 134104792) is 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one is Cc1cn(-c2cccc(OCCc3ccccc3)c2)c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one?
The InChIKey is JFCMBAUQAURFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15-14-21(19(22)20(15)2)17-9-6-10-18(13-17)23-12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one?
3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.11, 5 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-(2-phenylethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 134104792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).