2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole

C32H56N2 — CID 69404861

IUPAC2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole
SMILESCCCCCCCCCCCCC1(c2nccn2C(C)CCCCCCCCC)C=CC=CC1
InChIInChI=1S/C32H56N2/c1-4-6-8-10-12-13-14-16-18-21-25-32(26-22-19-23-27-32)31-33-28-29-34(31)30(3)24-20-17-15-11-9-7-5-2/h19,22-23,26,28-30H,4-18,20-21,24-25,27H2,1-3H3
InChIKeyWLQQENUVFHDHEC-UHFFFAOYSA-N
MW468.81 g/mol
LogP10.65
Rot. Bonds21

About 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole

2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole (PubChem CID 69404861) has the molecular formula C32H56N2 and a molecular weight of 468.81 g/mol. Its IUPAC name is 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole.

Molecular Properties

Compound Name2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole
PubChem CID69404861
Molecular FormulaC32H56N2
Molecular Weight468.81 g/mol
Exact Mass468.44
IUPAC Name2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole
SMILESCCCCCCCCCCCCC1(c2nccn2C(C)CCCCCCCCC)C=CC=CC1
InChIInChI=1S/C32H56N2/c1-4-6-8-10-12-13-14-16-18-21-25-32(26-22-19-23-27-32)31-33-28-29-34(31)30(3)24-20-17-15-11-9-7-5-2/h19,22-23,26,28-30H,4-18,20-21,24-25,27H2,1-3H3
InChIKeyWLQQENUVFHDHEC-UHFFFAOYSA-N
XLogP10.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 510.65
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole?
The IUPAC name of 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole (CID 69404861) is 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole.
What is the SMILES notation for 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole?
The canonical SMILES for 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole is CCCCCCCCCCCCC1(c2nccn2C(C)CCCCCCCCC)C=CC=CC1.
What is the InChIKey of 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole?
The InChIKey is WLQQENUVFHDHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2/c1-4-6-8-10-12-13-14-16-18-21-25-32(26-22-19-23-27-32)31-33-28-29-34(31)30(3)24-20-17-15-11-9-7-5-2/h19,22-23,26,28-30H,4-18,20-21,24-25,27H2,1-3H3.
What are the key properties of 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole?
2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole has a molecular weight of 468.81 g/mol, XLogP of 10.65, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dodecylcyclohexa-2,4-dien-1-yl)-1-undecan-2-ylimidazole is sourced from PubChem (CID 69404861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).