1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole

C24H34N2 — CID 166657716

IUPAC1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole
SMILESC=C(C)N1C2=C(C=CCC2)N(C2CC=C(C3CC=CCC3)CC2C)C1C
InChIInChI=1S/C24H34N2/c1-17(2)25-19(4)26(24-13-9-8-12-23(24)25)22-15-14-21(16-18(22)3)20-10-6-5-7-11-20/h5-6,9,13-14,18-20,22H,1,7-8,10-12,15-16H2,2-4H3
InChIKeyFHSCFXWIUALJTQ-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.13
Rot. Bonds3

About 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole

1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole (PubChem CID 166657716) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole
PubChem CID166657716
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole
SMILESC=C(C)N1C2=C(C=CCC2)N(C2CC=C(C3CC=CCC3)CC2C)C1C
InChIInChI=1S/C24H34N2/c1-17(2)25-19(4)26(24-13-9-8-12-23(24)25)22-15-14-21(16-18(22)3)20-10-6-5-7-11-20/h5-6,9,13-14,18-20,22H,1,7-8,10-12,15-16H2,2-4H3
InChIKeyFHSCFXWIUALJTQ-UHFFFAOYSA-N
XLogP6.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole?
The IUPAC name of 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole (CID 166657716) is 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole.
What is the SMILES notation for 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole?
The canonical SMILES for 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole is C=C(C)N1C2=C(C=CCC2)N(C2CC=C(C3CC=CCC3)CC2C)C1C.
What is the InChIKey of 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole?
The InChIKey is FHSCFXWIUALJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-17(2)25-19(4)26(24-13-9-8-12-23(24)25)22-15-14-21(16-18(22)3)20-10-6-5-7-11-20/h5-6,9,13-14,18-20,22H,1,7-8,10-12,15-16H2,2-4H3.
What are the key properties of 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole?
1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole has a molecular weight of 350.55 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohex-3-en-1-yl-6-methylcyclohex-3-en-1-yl)-2-methyl-3-prop-1-en-2-yl-4,5-dihydro-2H-benzimidazole is sourced from PubChem (CID 166657716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).