1-dodecyl-4,5-dimethyl-2-phenylimidazole

C23H36N2 — CID 20532413

IUPAC1-dodecyl-4,5-dimethyl-2-phenylimidazole
SMILESCCCCCCCCCCCCn1c(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C23H36N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-21(3)20(2)24-23(25)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3
InChIKeyGCGFHYVXBQEGKR-UHFFFAOYSA-N
MW340.56 g/mol
LogP7.09
Rot. Bonds12

About 1-dodecyl-4,5-dimethyl-2-phenylimidazole

1-dodecyl-4,5-dimethyl-2-phenylimidazole (PubChem CID 20532413) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-dodecyl-4,5-dimethyl-2-phenylimidazole.

Molecular Properties

Compound Name1-dodecyl-4,5-dimethyl-2-phenylimidazole
PubChem CID20532413
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1-dodecyl-4,5-dimethyl-2-phenylimidazole
SMILESCCCCCCCCCCCCn1c(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C23H36N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-21(3)20(2)24-23(25)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3
InChIKeyGCGFHYVXBQEGKR-UHFFFAOYSA-N
XLogP7.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 57.09
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-dodecyl-4,5-dimethyl-2-phenylimidazole?
The IUPAC name of 1-dodecyl-4,5-dimethyl-2-phenylimidazole (CID 20532413) is 1-dodecyl-4,5-dimethyl-2-phenylimidazole.
What is the SMILES notation for 1-dodecyl-4,5-dimethyl-2-phenylimidazole?
The canonical SMILES for 1-dodecyl-4,5-dimethyl-2-phenylimidazole is CCCCCCCCCCCCn1c(-c2ccccc2)nc(C)c1C.
What is the InChIKey of 1-dodecyl-4,5-dimethyl-2-phenylimidazole?
The InChIKey is GCGFHYVXBQEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-4-5-6-7-8-9-10-11-12-16-19-25-21(3)20(2)24-23(25)22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19H2,1-3H3.
What are the key properties of 1-dodecyl-4,5-dimethyl-2-phenylimidazole?
1-dodecyl-4,5-dimethyl-2-phenylimidazole has a molecular weight of 340.56 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4,5-dimethyl-2-phenylimidazole is sourced from PubChem (CID 20532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).