4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate

C14H17N2O3- — CID 3100381

IUPAC4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate
SMILESCC(C)COc1ccc(C2(C)N=C([O-])NC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)/p-1
InChIKeySQBASRXDUFQZDU-UHFFFAOYSA-M
MW261.30 g/mol
LogP0.78
Rot. Bonds4

About 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate

4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate (PubChem CID 3100381) has the molecular formula C14H17N2O3- and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate.

Molecular Properties

Compound Name4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate
PubChem CID3100381
Molecular FormulaC14H17N2O3-
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate
SMILESCC(C)COc1ccc(C2(C)N=C([O-])NC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)/p-1
InChIKeySQBASRXDUFQZDU-UHFFFAOYSA-M
XLogP0.78
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
CID 838462
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CID 2835308
(5R)-3,5-dimethyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CID 691223
5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
CID 3324909
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate?
The IUPAC name of 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate (CID 3100381) is 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate.
What is the SMILES notation for 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate?
The canonical SMILES for 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate is CC(C)COc1ccc(C2(C)N=C([O-])NC2=O)cc1.
What is the InChIKey of 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate?
The InChIKey is SQBASRXDUFQZDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)/p-1.
What are the key properties of 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate?
4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate has a molecular weight of 261.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[4-(2-methylpropoxy)phenyl]-5-oxo-1H-imidazol-2-olate is sourced from PubChem (CID 3100381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).