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

C20H20N4O — CID 23581397

IUPAC1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H20N4O/c1-3-23-16-11-10-15(12-17(16)24(4-2)20(23)25)19-18(21-13-22-19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyFCDUOXMHWBYUNK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds4

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

1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one (PubChem CID 23581397) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
PubChem CID23581397
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C20H20N4O/c1-3-23-16-11-10-15(12-17(16)24(4-2)20(23)25)19-18(21-13-22-19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyFCDUOXMHWBYUNK-UHFFFAOYSA-N
XLogP3.90
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylbenzimidazole
CID 11979
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
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-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
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-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one (CID 23581397) is 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21.
What is the InChIKey of 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
The InChIKey is FCDUOXMHWBYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-23-16-11-10-15(12-17(16)24(4-2)20(23)25)19-18(21-13-22-19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one?
1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one has a molecular weight of 332.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one is sourced from PubChem (CID 23581397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).