1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole

C19H20F2N4O2S2 — CID 24630092

IUPAC1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
SMILESO=S(=O)(c1ccc(SCc2nc3ccccc3n2C(F)F)nc1)N1CCCCC1
InChIInChI=1S/C19H20F2N4O2S2/c20-19(21)25-16-7-3-2-6-15(16)23-17(25)13-28-18-9-8-14(12-22-18)29(26,27)24-10-4-1-5-11-24/h2-3,6-9,12,19H,1,4-5,10-11,13H2
InChIKeyOWVNULLAFBJZQC-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.29
Rot. Bonds6

About 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole (PubChem CID 24630092) has the molecular formula C19H20F2N4O2S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
PubChem CID24630092
Molecular FormulaC19H20F2N4O2S2
Molecular Weight438.53 g/mol
Exact Mass438.10
IUPAC Name1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
SMILESO=S(=O)(c1ccc(SCc2nc3ccccc3n2C(F)F)nc1)N1CCCCC1
InChIInChI=1S/C19H20F2N4O2S2/c20-19(21)25-16-7-3-2-6-15(16)23-17(25)13-28-18-9-8-14(12-22-18)29(26,27)24-10-4-1-5-11-24/h2-3,6-9,12,19H,1,4-5,10-11,13H2
InChIKeyOWVNULLAFBJZQC-UHFFFAOYSA-N
XLogP4.29
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole 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-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole
CID 16625470
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 60561377
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
4-ethyl-1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 36641371
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
5-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649677
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 38969728
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 32681682
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole (CID 24630092) is 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole is O=S(=O)(c1ccc(SCc2nc3ccccc3n2C(F)F)nc1)N1CCCCC1.
What is the InChIKey of 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole?
The InChIKey is OWVNULLAFBJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S2/c20-19(21)25-16-7-3-2-6-15(16)23-17(25)13-28-18-9-8-14(12-22-18)29(26,27)24-10-4-1-5-11-24/h2-3,6-9,12,19H,1,4-5,10-11,13H2.
What are the key properties of 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole has a molecular weight of 438.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 24630092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).