1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one

C23H42N2O — CID 21263550

IUPAC1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one
SMILESCC1CCC(C(C)C)C(N2CCN(C3CC(C)CCC3C(C)C)C2=O)C1
InChIInChI=1S/C23H42N2O/c1-15(2)19-9-7-17(5)13-21(19)24-11-12-25(23(24)26)22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyXQNHVXCWAVJTPD-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.65
Rot. Bonds4

About 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one

1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one (PubChem CID 21263550) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one
PubChem CID21263550
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Name1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one
SMILESCC1CCC(C(C)C)C(N2CCN(C3CC(C)CCC3C(C)C)C2=O)C1
InChIInChI=1S/C23H42N2O/c1-15(2)19-9-7-17(5)13-21(19)24-11-12-25(23(24)26)22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3
InChIKeyXQNHVXCWAVJTPD-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one (CID 21263550) is 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one is CC1CCC(C(C)C)C(N2CCN(C3CC(C)CCC3C(C)C)C2=O)C1.
What is the InChIKey of 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one?
The InChIKey is XQNHVXCWAVJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O/c1-15(2)19-9-7-17(5)13-21(19)24-11-12-25(23(24)26)22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3.
What are the key properties of 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one?
1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one has a molecular weight of 362.60 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one is sourced from PubChem (CID 21263550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).