2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole

C23H36N2 — CID 164879233

IUPAC2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole
SMILESC=C(C)c1nc(CCCC)n(CCCCCC)c1C1=C(C)CCC=C1
InChIInChI=1S/C23H36N2/c1-6-8-10-13-17-25-21(16-9-7-2)24-22(18(3)4)23(25)20-15-12-11-14-19(20)5/h12,15H,3,6-11,13-14,16-17H2,1-2,4-5H3
InChIKeyAVXPPEQOCGHZBS-UHFFFAOYSA-N
MW340.56 g/mol
LogP6.96
Rot. Bonds10

About 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole

2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole (PubChem CID 164879233) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole.

Molecular Properties

Compound Name2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole
PubChem CID164879233
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole
SMILESC=C(C)c1nc(CCCC)n(CCCCCC)c1C1=C(C)CCC=C1
InChIInChI=1S/C23H36N2/c1-6-8-10-13-17-25-21(16-9-7-2)24-22(18(3)4)23(25)20-15-12-11-14-19(20)5/h12,15H,3,6-11,13-14,16-17H2,1-2,4-5H3
InChIKeyAVXPPEQOCGHZBS-UHFFFAOYSA-N
XLogP6.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.96
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-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
1-hexylpyrrole-2,5-diol
CID 54126791
1-nonylpyrrole-2,5-diol
CID 54200108
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole?
The IUPAC name of 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole (CID 164879233) is 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole.
What is the SMILES notation for 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole?
The canonical SMILES for 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole is C=C(C)c1nc(CCCC)n(CCCCCC)c1C1=C(C)CCC=C1.
What is the InChIKey of 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole?
The InChIKey is AVXPPEQOCGHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-6-8-10-13-17-25-21(16-9-7-2)24-22(18(3)4)23(25)20-15-12-11-14-19(20)5/h12,15H,3,6-11,13-14,16-17H2,1-2,4-5H3.
What are the key properties of 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole?
2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole has a molecular weight of 340.56 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-hexyl-5-(2-methylcyclohexa-1,5-dien-1-yl)-4-prop-1-en-2-ylimidazole is sourced from PubChem (CID 164879233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).