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

C10H16N2O — CID 10954129

IUPAC3-cyclohexyl-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H16N2O/c1-8-7-11-10(13)12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,13)
InChIKeyPFXKPKKTVXCFJA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds1

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

3-cyclohexyl-4-methyl-1H-imidazol-2-one (PubChem CID 10954129) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclohexyl-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-4-methyl-1H-imidazol-2-one
PubChem CID10954129
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-cyclohexyl-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H16N2O/c1-8-7-11-10(13)12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,13)
InChIKeyPFXKPKKTVXCFJA-UHFFFAOYSA-N
XLogP1.99
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclohexyl-4-methyl-1H-imidazol-2-one (CID 10954129) is 3-cyclohexyl-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclohexyl-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The InChIKey is PFXKPKKTVXCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-7-11-10(13)12(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,13).
What are the key properties of 3-cyclohexyl-4-methyl-1H-imidazol-2-one?
3-cyclohexyl-4-methyl-1H-imidazol-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 10954129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).