sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole

C22H20F3N4Na — CID 173463962

IUPACsodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCn1nc(C2(C)CC2)cc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C22H19F3N4.Na.H/c1-21(9-10-21)19-12-18(29(2)28-19)20-26-16-8-7-13(11-17(16)27-20)14-5-3-4-6-15(14)22(23,24)25;;/h3-8,11-12H,9-10H2,1-2H3,(H,26,27);;/q;+1;-1
InChIKeyGSCZMEGPWPMUOX-UHFFFAOYSA-N
MW420.41 g/mol
LogP2.82
Rot. Bonds3

About sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole

sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 173463962) has the molecular formula C22H20F3N4Na and a molecular weight of 420.41 g/mol. Its IUPAC name is sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Namesodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID173463962
Molecular FormulaC22H20F3N4Na
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Namesodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESCn1nc(C2(C)CC2)cc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C22H19F3N4.Na.H/c1-21(9-10-21)19-12-18(29(2)28-19)20-26-16-8-7-13(11-17(16)27-20)14-5-3-4-6-15(14)22(23,24)25;;/h3-8,11-12H,9-10H2,1-2H3,(H,26,27);;/q;+1;-1
InChIKeyGSCZMEGPWPMUOX-UHFFFAOYSA-N
XLogP2.82
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromo-1-bicyclo[2.2.2]octanyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 67527909
3-(2-methylpropyl)-5-[6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1,2-oxazole
CID 135981285
2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 136510199
2-[(E)-2-cyclohexylethenyl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
CID 68770899
2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2,6-difluorophenyl)-1H-benzimidazole;hydrochloride
CID 158679112
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
CID 159076041
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 88910277
3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 166273309
8,8-dimethyl-3-[4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1,2-diazaspiro[4.5]dec-2-ene
CID 135883264
2-[6-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]-3-oxa-1-azaspiro[4.5]dec-1-ene
CID 45275551
3-[6-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-3-ene
CID 91253062

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 173463962) is sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole is Cn1nc(C2(C)CC2)cc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is GSCZMEGPWPMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4.Na.H/c1-21(9-10-21)19-12-18(29(2)28-19)20-26-16-8-7-13(11-17(16)27-20)14-5-3-4-6-15(14)22(23,24)25;;/h3-8,11-12H,9-10H2,1-2H3,(H,26,27);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole?
sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 420.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 173463962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).