1,2-diphenylcyclohepta[d]imidazol-4-one

C20H14N2O — CID 10017572

IUPAC1,2-diphenylcyclohepta[d]imidazol-4-one
SMILESO=c1ccccc2c1nc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H14N2O/c23-18-14-8-7-13-17-19(18)21-20(15-9-3-1-4-10-15)22(17)16-11-5-2-6-12-16/h1-14H
InChIKeyYYEUWRGFUQOOLF-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.05
Rot. Bonds2

About 1,2-diphenylcyclohepta[d]imidazol-4-one

1,2-diphenylcyclohepta[d]imidazol-4-one (PubChem CID 10017572) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1,2-diphenylcyclohepta[d]imidazol-4-one.

Molecular Properties

Compound Name1,2-diphenylcyclohepta[d]imidazol-4-one
PubChem CID10017572
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name1,2-diphenylcyclohepta[d]imidazol-4-one
SMILESO=c1ccccc2c1nc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H14N2O/c23-18-14-8-7-13-17-19(18)21-20(15-9-3-1-4-10-15)22(17)16-11-5-2-6-12-16/h1-14H
InChIKeyYYEUWRGFUQOOLF-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425006
2,3,6-triphenylpyrimidin-4-one
CID 13280772
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
CID 131983224
3-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)phenyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 11280919
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
5-methyl-1,2-diphenylbenzimidazole
CID 45104351

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylcyclohepta[d]imidazol-4-one?
The IUPAC name of 1,2-diphenylcyclohepta[d]imidazol-4-one (CID 10017572) is 1,2-diphenylcyclohepta[d]imidazol-4-one.
What is the SMILES notation for 1,2-diphenylcyclohepta[d]imidazol-4-one?
The canonical SMILES for 1,2-diphenylcyclohepta[d]imidazol-4-one is O=c1ccccc2c1nc(-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 1,2-diphenylcyclohepta[d]imidazol-4-one?
The InChIKey is YYEUWRGFUQOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-18-14-8-7-13-17-19(18)21-20(15-9-3-1-4-10-15)22(17)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1,2-diphenylcyclohepta[d]imidazol-4-one?
1,2-diphenylcyclohepta[d]imidazol-4-one has a molecular weight of 298.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylcyclohepta[d]imidazol-4-one is sourced from PubChem (CID 10017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).