1,3-bis(4-methylcyclohexyl)imidazolidin-2-one

C17H30N2O — CID 139926672

IUPAC1,3-bis(4-methylcyclohexyl)imidazolidin-2-one
SMILESCC1CCC(N2CCN(C3CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C17H30N2O/c1-13-3-7-15(8-4-13)18-11-12-19(17(18)20)16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3
InChIKeyWDGSANUBNFKRJC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.88
Rot. Bonds2

About 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one

1,3-bis(4-methylcyclohexyl)imidazolidin-2-one (PubChem CID 139926672) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(4-methylcyclohexyl)imidazolidin-2-one
PubChem CID139926672
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1,3-bis(4-methylcyclohexyl)imidazolidin-2-one
SMILESCC1CCC(N2CCN(C3CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C17H30N2O/c1-13-3-7-15(8-4-13)18-11-12-19(17(18)20)16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3
InChIKeyWDGSANUBNFKRJC-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one (CID 139926672) is 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one is CC1CCC(N2CCN(C3CCC(C)CC3)C2=O)CC1.
What is the InChIKey of 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one?
The InChIKey is WDGSANUBNFKRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-3-7-15(8-4-13)18-11-12-19(17(18)20)16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one?
1,3-bis(4-methylcyclohexyl)imidazolidin-2-one has a molecular weight of 278.44 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylcyclohexyl)imidazolidin-2-one is sourced from PubChem (CID 139926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).