5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one

C19H17FN4O — CID 22063793

IUPAC5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H17FN4O/c1-11-17(18(22-21-11)12-4-7-14(20)8-5-12)13-6-9-15-16(10-13)24(3)19(25)23(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyDHFQQXLJBCPFCP-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.38
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one

5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 22063793) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one
PubChem CID22063793
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H17FN4O/c1-11-17(18(22-21-11)12-4-7-14(20)8-5-12)13-6-9-15-16(10-13)24(3)19(25)23(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyDHFQQXLJBCPFCP-UHFFFAOYSA-N
XLogP3.38
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Diethyl-5-(3-m-tolyl-1H-pyrazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063925
1,3-diethyl-5-[3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581364
1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1,3-diethyl-5-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647068
1,3-diethyl-5-[1-(3-methylphenyl)-1H-pyrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647075
1,3-diethyl-5-[4-(3-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10383002
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
Rock-IN-D2
CID 45380564
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
1,3-dimethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647069
3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443444

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one (CID 22063793) is 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one is Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is DHFQQXLJBCPFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-11-17(18(22-21-11)12-4-7-14(20)8-5-12)13-6-9-15-16(10-13)24(3)19(25)23(15)2/h4-10H,1-3H3,(H,21,22).
What are the key properties of 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 22063793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).