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

C21H19F3N4O — CID 23647068

IUPAC1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C21H19F3N4O/c1-3-27-17-9-8-13(11-18(17)28(4-2)20(27)29)16-12-25-26-19(16)14-6-5-7-15(10-14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,25,26)
InChIKeyKSPOJZNAWMACAN-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.92
Rot. Bonds4

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

1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one (PubChem CID 23647068) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one
PubChem CID23647068
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C21H19F3N4O/c1-3-27-17-9-8-13(11-18(17)28(4-2)20(27)29)16-12-25-26-19(16)14-6-5-7-15(10-14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,25,26)
InChIKeyKSPOJZNAWMACAN-UHFFFAOYSA-N
XLogP4.92
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
1-cyclopentyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10597258
1-[[4-(dimethylamino)phenyl]methyl]-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 10838397
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 11797457

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one (CID 23647068) is 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3cn[nH]c3-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one?
The InChIKey is KSPOJZNAWMACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-3-27-17-9-8-13(11-18(17)28(4-2)20(27)29)16-12-25-26-19(16)14-6-5-7-15(10-14)21(22,23)24/h5-12H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one has a molecular weight of 400.40 g/mol, XLogP of 4.92, 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-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23647068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).