1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one

C24H42N2O — CID 91005049

IUPAC1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one
SMILESCC(C)=CCC1C(C(C)C)C=CC(C)C1C(C)(C)CCCN1CCNC1=O
InChIInChI=1S/C24H42N2O/c1-17(2)9-11-21-20(18(3)4)12-10-19(5)22(21)24(6,7)13-8-15-26-16-14-25-23(26)27/h9-10,12,18-22H,8,11,13-16H2,1-7H3,(H,25,27)
InChIKeyPOTNGMWJESAVAS-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.88
Rot. Bonds8

About 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one

1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one (PubChem CID 91005049) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one
PubChem CID91005049
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one
SMILESCC(C)=CCC1C(C(C)C)C=CC(C)C1C(C)(C)CCCN1CCNC1=O
InChIInChI=1S/C24H42N2O/c1-17(2)9-11-21-20(18(3)4)12-10-19(5)22(21)24(6,7)13-8-15-26-16-14-25-23(26)27/h9-10,12,18-22H,8,11,13-16H2,1-7H3,(H,25,27)
InChIKeyPOTNGMWJESAVAS-UHFFFAOYSA-N
XLogP5.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one?
The IUPAC name of 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one (CID 91005049) is 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one is CC(C)=CCC1C(C(C)C)C=CC(C)C1C(C)(C)CCCN1CCNC1=O.
What is the InChIKey of 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one?
The InChIKey is POTNGMWJESAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-17(2)9-11-21-20(18(3)4)12-10-19(5)22(21)24(6,7)13-8-15-26-16-14-25-23(26)27/h9-10,12,18-22H,8,11,13-16H2,1-7H3,(H,25,27).
What are the key properties of 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one?
1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one has a molecular weight of 374.61 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-[2-methyl-6-(3-methylbut-2-enyl)-5-propan-2-ylcyclohex-3-en-1-yl]pentyl]imidazolidin-2-one is sourced from PubChem (CID 91005049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).