1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one

C26H24N2O — CID 70467853

IUPAC1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C26H24N2O/c1-2-9-24(29)20-14-16-23(17-15-20)26(25-27-18-19-28-25,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-19H,2,9H2,1H3,(H,27,28)
InChIKeyPDWKKRYDHFBPRF-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.78
Rot. Bonds7

About 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one

1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one (PubChem CID 70467853) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one
PubChem CID70467853
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C26H24N2O/c1-2-9-24(29)20-14-16-23(17-15-20)26(25-27-18-19-28-25,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-19H,2,9H2,1H3,(H,27,28)
InChIKeyPDWKKRYDHFBPRF-UHFFFAOYSA-N
XLogP5.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
CID 91811687
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
2-acetyl-4-butyl-5-[1H-imidazol-2-yl(diphenyl)methyl]benzonitrile
CID 70225810
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
1-(1H-imidazol-2-yl)-1-phenylethanol
CID 15123322
1-[4-[1-(dimethylamino)-1-(1H-imidazol-2-yl)propyl]phenyl]ethanone
CID 20544180
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
2-(1H-imidazol-2-yl)-2-methoxypentanamide
CID 140540842
1-(2-phenyl-4-pyridinyl)butan-1-one
CID 44538893
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one?
The IUPAC name of 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one (CID 70467853) is 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one is CCCC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ncc[nH]2)cc1.
What is the InChIKey of 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one?
The InChIKey is PDWKKRYDHFBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-2-9-24(29)20-14-16-23(17-15-20)26(25-27-18-19-28-25,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-19H,2,9H2,1H3,(H,27,28).
What are the key properties of 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one?
1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one has a molecular weight of 380.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one is sourced from PubChem (CID 70467853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).