5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one

C26H24N2O — CID 91321669

IUPAC5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one
SMILESO=C(CCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Cc1ccccc1
InChIInChI=1S/C26H24N2O/c29-23(19-20-11-4-1-5-12-20)17-10-18-24-27-25(21-13-6-2-7-14-21)26(28-24)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2,(H,27,28)
InChIKeyCDLKPOXRPPJJTF-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.88
Rot. Bonds8

About 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one

5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one (PubChem CID 91321669) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one.

Molecular Properties

Compound Name5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one
PubChem CID91321669
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one
SMILESO=C(CCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Cc1ccccc1
InChIInChI=1S/C26H24N2O/c29-23(19-20-11-4-1-5-12-20)17-10-18-24-27-25(21-13-6-2-7-14-21)26(28-24)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2,(H,27,28)
InChIKeyCDLKPOXRPPJJTF-UHFFFAOYSA-N
XLogP5.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one?
The IUPAC name of 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one (CID 91321669) is 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one.
What is the SMILES notation for 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one?
The canonical SMILES for 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one is O=C(CCCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Cc1ccccc1.
What is the InChIKey of 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one?
The InChIKey is CDLKPOXRPPJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c29-23(19-20-11-4-1-5-12-20)17-10-18-24-27-25(21-13-6-2-7-14-21)26(28-24)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2,(H,27,28).
What are the key properties of 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one?
5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one has a molecular weight of 380.49 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one is sourced from PubChem (CID 91321669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).