4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole

C25H24N2 — CID 156574711

IUPAC4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
SMILESCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cn1
InChIInChI=1S/C25H24N2/c1-3-24-18-27(19-26-24)25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-16-14-20(2)15-17-23/h4-19H,3H2,1-2H3
InChIKeyCQQVHVFYRAWOHZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.59
Rot. Bonds5

About 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole

4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole (PubChem CID 156574711) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole.

Molecular Properties

Compound Name4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
PubChem CID156574711
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
SMILESCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cn1
InChIInChI=1S/C25H24N2/c1-3-24-18-27(19-26-24)25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-16-14-20(2)15-17-23/h4-19H,3H2,1-2H3
InChIKeyCQQVHVFYRAWOHZ-UHFFFAOYSA-N
XLogP5.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole?
The IUPAC name of 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole (CID 156574711) is 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole.
What is the SMILES notation for 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole?
The canonical SMILES for 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole is CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cn1.
What is the InChIKey of 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole?
The InChIKey is CQQVHVFYRAWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-24-18-27(19-26-24)25(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-16-14-20(2)15-17-23/h4-19H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole?
4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole has a molecular weight of 352.48 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole is sourced from PubChem (CID 156574711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).