1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one

C21H21FN4O — CID 23581364

IUPAC1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C21H21FN4O/c1-4-25-18-9-7-14(11-19(18)26(5-2)21(25)27)16-12-23-24-20(16)15-6-8-17(22)13(3)10-15/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyGOYIWGNKBULYBS-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.35
Rot. Bonds4

About 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one

1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one (PubChem CID 23581364) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
PubChem CID23581364
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccc(F)c(C)c3)ccc21
InChIInChI=1S/C21H21FN4O/c1-4-25-18-9-7-14(11-19(18)26(5-2)21(25)27)16-12-23-24-20(16)15-6-8-17(22)13(3)10-15/h6-12H,4-5H2,1-3H3,(H,23,24)
InChIKeyGOYIWGNKBULYBS-UHFFFAOYSA-N
XLogP4.35
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
1,3-diethyl-5-[5-(2-fluoro-5-methylphenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]benzimidazol-2-one
CID 58648524
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
5-[3-(butylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 142168745
1-ethyl-4-(4-fluoro-3-methylphenyl)pyrazole-5-carboxylic acid
CID 122568449
1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252073
2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 22063829
5-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,3-diethylbenzimidazol-2-one
CID 92589778
6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 134493783
1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
CID 11392508
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one (CID 23581364) is 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3ccc(F)c(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one?
The InChIKey is GOYIWGNKBULYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-4-25-18-9-7-14(11-19(18)26(5-2)21(25)27)16-12-23-24-20(16)15-6-8-17(22)13(3)10-15/h6-12H,4-5H2,1-3H3,(H,23,24).
What are the key properties of 1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one has a molecular weight of 364.42 g/mol, XLogP of 4.35, 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-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).