2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole

C16H26N2 — CID 102086658

IUPAC2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole
SMILESCCCCCCCCN1CCN=C1C1=CC=CC1
InChIInChI=1S/C16H26N2/c1-2-3-4-5-6-9-13-18-14-12-17-16(18)15-10-7-8-11-15/h7-8,10H,2-6,9,11-14H2,1H3
InChIKeyRMQYROHZOPHSJB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.95
Rot. Bonds8

About 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole

2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole (PubChem CID 102086658) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole
PubChem CID102086658
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole
SMILESCCCCCCCCN1CCN=C1C1=CC=CC1
InChIInChI=1S/C16H26N2/c1-2-3-4-5-6-9-13-18-14-12-17-16(18)15-10-7-8-11-15/h7-8,10H,2-6,9,11-14H2,1H3
InChIKeyRMQYROHZOPHSJB-UHFFFAOYSA-N
XLogP3.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine
CID 134989531
2-(Heptadeca-8,11,14-trienyl)-N-methylimidazoline
CID 5369148
2-(Heptadec-10-enyl)-N-methylimidazoline(Z)
CID 5369149
2-(Heptadec-8-enyl)-N-methylimidazoline(Z)
CID 5369150
2-(Heptadec-5-enyl)-N-methylimidazoline(Z)
CID 5369151
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
1-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazole
CID 22112616
1-Ethyl-2-heptadec-8-enyl-4,5-dihydroimidazole
CID 54191465
1-Butyl-2-heptadec-1-enyl-4,5-dihydroimidazole
CID 57154399
2-[(Z)-octadec-9-enyl]-1-propyl-4,5-dihydroimidazole
CID 67797818
1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
CID 67842211
1-Methyl-2-octadec-9-enyl-4,5-dihydroimidazole
CID 67842214

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole (CID 102086658) is 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole is CCCCCCCCN1CCN=C1C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole?
The InChIKey is RMQYROHZOPHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-4-5-6-9-13-18-14-12-17-16(18)15-10-7-8-11-15/h7-8,10H,2-6,9,11-14H2,1H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole?
2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole has a molecular weight of 246.40 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1-octyl-4,5-dihydroimidazole is sourced from PubChem (CID 102086658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).