6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole

C14H13F3N4O3S — CID 141443546

IUPAC6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole
SMILESCC(C)S(=O)(=O)c1cc2[nH]c(-n3cccn3)nc2cc1OC(F)(F)F
InChIInChI=1S/C14H13F3N4O3S/c1-8(2)25(22,23)12-7-10-9(6-11(12)24-14(15,16)17)19-13(20-10)21-5-3-4-18-21/h3-8H,1-2H3,(H,19,20)
InChIKeyAOAXONKQXUOFGH-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.83
Rot. Bonds4

About 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole

6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole (PubChem CID 141443546) has the molecular formula C14H13F3N4O3S and a molecular weight of 374.34 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole
PubChem CID141443546
Molecular FormulaC14H13F3N4O3S
Molecular Weight374.34 g/mol
Exact Mass374.07
IUPAC Name6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole
SMILESCC(C)S(=O)(=O)c1cc2[nH]c(-n3cccn3)nc2cc1OC(F)(F)F
InChIInChI=1S/C14H13F3N4O3S/c1-8(2)25(22,23)12-7-10-9(6-11(12)24-14(15,16)17)19-13(20-10)21-5-3-4-18-21/h3-8H,1-2H3,(H,19,20)
InChIKeyAOAXONKQXUOFGH-UHFFFAOYSA-N
XLogP2.83
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
1-(6-fluoro-5-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156055
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 141252366
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
6-propylsulfonyl-5-(trifluoromethoxy)-1H-benzimidazole
CID 141252312
6-fluoro-5-pyrazol-1-yl-1H-benzimidazole-2-sulfonate
CID 140711902
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
CID 75396723
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361587
5-(dimethylamino)-2-pyrazol-1-yl-3H-quinazolin-4-one
CID 141277465
1-[1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137079126

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole?
The IUPAC name of 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole (CID 141443546) is 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole.
What is the SMILES notation for 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole?
The canonical SMILES for 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole is CC(C)S(=O)(=O)c1cc2[nH]c(-n3cccn3)nc2cc1OC(F)(F)F.
What is the InChIKey of 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole?
The InChIKey is AOAXONKQXUOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3S/c1-8(2)25(22,23)12-7-10-9(6-11(12)24-14(15,16)17)19-13(20-10)21-5-3-4-18-21/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole?
6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole has a molecular weight of 374.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-2-pyrazol-1-yl-5-(trifluoromethoxy)-1H-benzimidazole is sourced from PubChem (CID 141443546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).