3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one

C16H20N2O — CID 11821214

IUPAC3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-12-15(13-8-4-2-5-9-13)18(16(19)17-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeySSQCHNJDDYEKRN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.66
Rot. Bonds2

About 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one

3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one (PubChem CID 11821214) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one
PubChem CID11821214
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-12-15(13-8-4-2-5-9-13)18(16(19)17-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeySSQCHNJDDYEKRN-UHFFFAOYSA-N
XLogP3.66
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one (CID 11821214) is 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccccc1.
What is the InChIKey of 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one?
The InChIKey is SSQCHNJDDYEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-15(13-8-4-2-5-9-13)18(16(19)17-12)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one?
3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 11821214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).