1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole

C25H24N2 — CID 102274301

IUPAC1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C25H24N2/c1-19(2)25-26-23(21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)27(25)18-20-12-6-3-7-13-20/h3-17,19H,18H2,1-2H3
InChIKeyQDWWJVZRMVNYFQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.39
Rot. Bonds5

About 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole

1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole (PubChem CID 102274301) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
PubChem CID102274301
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C25H24N2/c1-19(2)25-26-23(21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)27(25)18-20-12-6-3-7-13-20/h3-17,19H,18H2,1-2H3
InChIKeyQDWWJVZRMVNYFQ-UHFFFAOYSA-N
XLogP6.39
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 ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole?
The IUPAC name of 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole (CID 102274301) is 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole is CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole?
The InChIKey is QDWWJVZRMVNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-19(2)25-26-23(21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)27(25)18-20-12-6-3-7-13-20/h3-17,19H,18H2,1-2H3.
What are the key properties of 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole?
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole has a molecular weight of 352.48 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole is sourced from PubChem (CID 102274301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).