(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

C20H18ClF3N4O3S — CID 4200307

IUPAC(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C20H18ClF3N4O3S/c1-32(30,31)14-3-4-16-15(10-14)26-19(20(22,23)24)28(16)13-6-8-27(9-7-13)18(29)12-2-5-17(21)25-11-12/h2-5,10-11,13H,6-9H2,1H3
InChIKeyLUNQFWZWYQDVPE-UHFFFAOYSA-N
MW486.90 g/mol
LogP3.98
Rot. Bonds3

About (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 4200307) has the molecular formula C20H18ClF3N4O3S and a molecular weight of 486.90 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID4200307
Molecular FormulaC20H18ClF3N4O3S
Molecular Weight486.90 g/mol
Exact Mass486.07
IUPAC Name(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C20H18ClF3N4O3S/c1-32(30,31)14-3-4-16-15(10-14)26-19(20(22,23)24)28(16)13-6-8-27(9-7-13)18(29)12-2-5-17(21)25-11-12/h2-5,10-11,13H,6-9H2,1H3
InChIKeyLUNQFWZWYQDVPE-UHFFFAOYSA-N
XLogP3.98
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone 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 (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 4200307) is (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is CS(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C1CCN(C(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is LUNQFWZWYQDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3S/c1-32(30,31)14-3-4-16-15(10-14)26-19(20(22,23)24)28(16)13-6-8-27(9-7-13)18(29)12-2-5-17(21)25-11-12/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 486.90 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[4-[5-methylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 4200307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).