2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole

C17H19F2N5O2S — CID 51596047

IUPAC2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
SMILESCc1c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cnn1C(F)F
InChIInChI=1S/C17H19F2N5O2S/c1-11-15(9-20-24(11)17(18)19)27(25,26)23-8-4-5-12(10-23)16-21-13-6-2-3-7-14(13)22-16/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyGWWUGZKCODZCHI-GFCCVEGCSA-N
MW395.44 g/mol
LogP3.03
Rot. Bonds4

About 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole

2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole (PubChem CID 51596047) has the molecular formula C17H19F2N5O2S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
PubChem CID51596047
Molecular FormulaC17H19F2N5O2S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC Name2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
SMILESCc1c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cnn1C(F)F
InChIInChI=1S/C17H19F2N5O2S/c1-11-15(9-20-24(11)17(18)19)27(25,26)23-8-4-5-12(10-23)16-21-13-6-2-3-7-14(13)22-16/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyGWWUGZKCODZCHI-GFCCVEGCSA-N
XLogP3.03
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole (CID 51596047) is 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole is Cc1c(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cnn1C(F)F.
What is the InChIKey of 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole?
The InChIKey is GWWUGZKCODZCHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F2N5O2S/c1-11-15(9-20-24(11)17(18)19)27(25,26)23-8-4-5-12(10-23)16-21-13-6-2-3-7-14(13)22-16/h2-3,6-7,9,12,17H,4-5,8,10H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole?
2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole has a molecular weight of 395.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 51596047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).