1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one

C20H19FN4O — CID 23581385

IUPAC1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H19FN4O/c1-3-24-16-10-7-14(11-17(16)25(4-2)20(24)26)19-18(22-12-23-19)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyXGHYIUNGUIHVAN-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.04
Rot. Bonds4

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

1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one (PubChem CID 23581385) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one
PubChem CID23581385
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H19FN4O/c1-3-24-16-10-7-14(11-17(16)25(4-2)20(24)26)19-18(22-12-23-19)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyXGHYIUNGUIHVAN-UHFFFAOYSA-N
XLogP4.04
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
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
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514
1-Ethyl-3-(5-phenyl-1H-benzoimidazol-2-yl)-urea
CID 18008864
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
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392
1,3-diethyl-5-(4-phenyl-1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581397
1,3-dimethyl-5-(4-phenyl-1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581428

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one (CID 23581385) is 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one?
The InChIKey is XGHYIUNGUIHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-3-24-16-10-7-14(11-17(16)25(4-2)20(24)26)19-18(22-12-23-19)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one has a molecular weight of 350.40 g/mol, XLogP of 4.04, 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-(4-fluorophenyl)-1H-imidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23581385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).