1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole

C22H32N2 — CID 143398967

IUPAC1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole
SMILESC1=CCC(C[C@@H](C2=CCCCC2)C2CCC(N3C=NCC3)C2)C=C1
InChIInChI=1S/C22H32N2/c1-3-7-18(8-4-1)15-22(19-9-5-2-6-10-19)20-11-12-21(16-20)24-14-13-23-17-24/h1,3-4,7,9,17-18,20-22H,2,5-6,8,10-16H2/t18?,20?,21?,22-/m0/s1
InChIKeyZWQYDUONGGBIAG-OUHCFLCTSA-N
MW324.51 g/mol
LogP5.14
Rot. Bonds5

About 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole

1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole (PubChem CID 143398967) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole
PubChem CID143398967
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole
SMILESC1=CCC(C[C@@H](C2=CCCCC2)C2CCC(N3C=NCC3)C2)C=C1
InChIInChI=1S/C22H32N2/c1-3-7-18(8-4-1)15-22(19-9-5-2-6-10-19)20-11-12-21(16-20)24-14-13-23-17-24/h1,3-4,7,9,17-18,20-22H,2,5-6,8,10-16H2/t18?,20?,21?,22-/m0/s1
InChIKeyZWQYDUONGGBIAG-OUHCFLCTSA-N
XLogP5.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole with MolForge

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Related Compounds

1-[(Z)-4-methylicos-11-en-3-yl]-4,5-dihydroimidazole
CID 70564309
1-(4-tert-butylcyclohexa-1,3-dien-1-yl)-3-[(1R,4S)-4-tert-butylcyclohex-2-en-1-yl]-4,5-dihydroimidazol-3-ium
CID 123533546
1-[(1-Dodecyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
CID 139753087

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole (CID 143398967) is 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole is C1=CCC(C[C@@H](C2=CCCCC2)C2CCC(N3C=NCC3)C2)C=C1.
What is the InChIKey of 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole?
The InChIKey is ZWQYDUONGGBIAG-OUHCFLCTSA-N. The full InChI is InChI=1S/C22H32N2/c1-3-7-18(8-4-1)15-22(19-9-5-2-6-10-19)20-11-12-21(16-20)24-14-13-23-17-24/h1,3-4,7,9,17-18,20-22H,2,5-6,8,10-16H2/t18?,20?,21?,22-/m0/s1.
What are the key properties of 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole?
1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole has a molecular weight of 324.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-2-cyclohexa-2,4-dien-1-yl-1-(cyclohexen-1-yl)ethyl]cyclopentyl]-4,5-dihydroimidazole is sourced from PubChem (CID 143398967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).