1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one

C18H16N4O — CID 23581428

IUPAC1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C18H16N4O/c1-21-14-9-8-13(10-15(14)22(2)18(21)23)17-16(19-11-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)
InChIKeyAUGQGSISRRQFMR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.93
Rot. Bonds2

About 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one

1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one (PubChem CID 23581428) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
PubChem CID23581428
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C18H16N4O/c1-21-14-9-8-13(10-15(14)22(2)18(21)23)17-16(19-11-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20)
InChIKeyAUGQGSISRRQFMR-UHFFFAOYSA-N
XLogP2.93
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethylbenzimidazole
CID 675
5-Methylbenzimidazole
CID 11979
Stk857277
CID 950737
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
4-Methylbenzimidazole
CID 1519341
1-Ethyl-3-(5-phenyl-1H-benzoimidazol-2-yl)-urea
CID 18008864
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-Diethyl-5-(5-m-tolyl-3H-imidazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063936

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one (CID 23581428) is 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The InChIKey is AUGQGSISRRQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-21-14-9-8-13(10-15(14)22(2)18(21)23)17-16(19-11-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one is sourced from PubChem (CID 23581428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).