1-(1-dodecyl-3-methylcyclohexyl)imidazole

C22H40N2 — CID 175343147

IUPAC1-(1-dodecyl-3-methylcyclohexyl)imidazole
SMILESCCCCCCCCCCCCC1(n2ccnc2)CCCC(C)C1
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-15-22(24-18-17-23-20-24)16-13-14-21(2)19-22/h17-18,20-21H,3-16,19H2,1-2H3
InChIKeyWMPGGBATEONTSL-UHFFFAOYSA-N
MW332.58 g/mol
LogP7.10
Rot. Bonds12

About 1-(1-dodecyl-3-methylcyclohexyl)imidazole

1-(1-dodecyl-3-methylcyclohexyl)imidazole (PubChem CID 175343147) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-(1-dodecyl-3-methylcyclohexyl)imidazole.

Molecular Properties

Compound Name1-(1-dodecyl-3-methylcyclohexyl)imidazole
PubChem CID175343147
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name1-(1-dodecyl-3-methylcyclohexyl)imidazole
SMILESCCCCCCCCCCCCC1(n2ccnc2)CCCC(C)C1
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-15-22(24-18-17-23-20-24)16-13-14-21(2)19-22/h17-18,20-21H,3-16,19H2,1-2H3
InChIKeyWMPGGBATEONTSL-UHFFFAOYSA-N
XLogP7.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.10
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 1-(1-dodecyl-3-methylcyclohexyl)imidazole?
The IUPAC name of 1-(1-dodecyl-3-methylcyclohexyl)imidazole (CID 175343147) is 1-(1-dodecyl-3-methylcyclohexyl)imidazole.
What is the SMILES notation for 1-(1-dodecyl-3-methylcyclohexyl)imidazole?
The canonical SMILES for 1-(1-dodecyl-3-methylcyclohexyl)imidazole is CCCCCCCCCCCCC1(n2ccnc2)CCCC(C)C1.
What is the InChIKey of 1-(1-dodecyl-3-methylcyclohexyl)imidazole?
The InChIKey is WMPGGBATEONTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-15-22(24-18-17-23-20-24)16-13-14-21(2)19-22/h17-18,20-21H,3-16,19H2,1-2H3.
What are the key properties of 1-(1-dodecyl-3-methylcyclohexyl)imidazole?
1-(1-dodecyl-3-methylcyclohexyl)imidazole has a molecular weight of 332.58 g/mol, XLogP of 7.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dodecyl-3-methylcyclohexyl)imidazole is sourced from PubChem (CID 175343147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).