1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one

C20H20N2O — CID 10662301

IUPAC1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)19(23)22-14-21-17(15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeySPKIPCMFCZRSRK-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.90
Rot. Bonds2

About 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one

1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 10662301) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one
PubChem CID10662301
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)19(23)22-14-21-17(15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeySPKIPCMFCZRSRK-UHFFFAOYSA-N
XLogP4.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one (CID 10662301) is 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SPKIPCMFCZRSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)19(23)22-14-21-17(15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4-14H,1-3H3.
What are the key properties of 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one?
1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenylimidazol-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10662301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).