1,3-dicyclohexyl-4-methylimidazol-2-one

C16H26N2O — CID 166445849

IUPAC1,3-dicyclohexyl-4-methylimidazol-2-one
SMILESCc1cn(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C16H26N2O/c1-13-12-17(14-8-4-2-5-9-14)16(19)18(13)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
InChIKeyRCRWFWCDOYKAOV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.97
Rot. Bonds2

About 1,3-dicyclohexyl-4-methylimidazol-2-one

1,3-dicyclohexyl-4-methylimidazol-2-one (PubChem CID 166445849) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,3-dicyclohexyl-4-methylimidazol-2-one.

Molecular Properties

Compound Name1,3-dicyclohexyl-4-methylimidazol-2-one
PubChem CID166445849
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,3-dicyclohexyl-4-methylimidazol-2-one
SMILESCc1cn(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C16H26N2O/c1-13-12-17(14-8-4-2-5-9-14)16(19)18(13)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
InChIKeyRCRWFWCDOYKAOV-UHFFFAOYSA-N
XLogP3.97
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-4-methylimidazol-2-one?
The IUPAC name of 1,3-dicyclohexyl-4-methylimidazol-2-one (CID 166445849) is 1,3-dicyclohexyl-4-methylimidazol-2-one.
What is the SMILES notation for 1,3-dicyclohexyl-4-methylimidazol-2-one?
The canonical SMILES for 1,3-dicyclohexyl-4-methylimidazol-2-one is Cc1cn(C2CCCCC2)c(=O)n1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-4-methylimidazol-2-one?
The InChIKey is RCRWFWCDOYKAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-12-17(14-8-4-2-5-9-14)16(19)18(13)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3.
What are the key properties of 1,3-dicyclohexyl-4-methylimidazol-2-one?
1,3-dicyclohexyl-4-methylimidazol-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-4-methylimidazol-2-one is sourced from PubChem (CID 166445849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).