4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one

C17H22N2O — CID 19897011

IUPAC4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-12-16(19(2)17(20)18-12)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,20)
InChIKeyUOMHJJBXZHVZGI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.74
Rot. Bonds2

About 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one

4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one (PubChem CID 19897011) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
PubChem CID19897011
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-12-16(19(2)17(20)18-12)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,20)
InChIKeyUOMHJJBXZHVZGI-UHFFFAOYSA-N
XLogP3.74
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one (CID 19897011) is 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C)c1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The InChIKey is UOMHJJBXZHVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-16(19(2)17(20)18-12)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 19897011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).