2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C23H24ClN3O2S — CID 156786833

IUPAC2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)CC2
InChIInChI=1S/C23H24ClN3O2S/c1-30(28,29)18-9-7-15-6-8-17(12-16(15)13-18)27-11-10-21-22(14-27)26-23(25-21)19-4-2-3-5-20(19)24/h2-5,7,9,13,17H,6,8,10-12,14H2,1H3,(H,25,26)
InChIKeyARAJTVLKAZHVPV-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 156786833) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID156786833
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)CC2
InChIInChI=1S/C23H24ClN3O2S/c1-30(28,29)18-9-7-15-6-8-17(12-16(15)13-18)27-11-10-21-22(14-27)26-23(25-21)19-4-2-3-5-20(19)24/h2-5,7,9,13,17H,6,8,10-12,14H2,1H3,(H,25,26)
InChIKeyARAJTVLKAZHVPV-UHFFFAOYSA-N
XLogP4.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 156786833) is 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CS(=O)(=O)c1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)CC2.
What is the InChIKey of 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ARAJTVLKAZHVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-30(28,29)18-9-7-15-6-8-17(12-16(15)13-18)27-11-10-21-22(14-27)26-23(25-21)19-4-2-3-5-20(19)24/h2-5,7,9,13,17H,6,8,10-12,14H2,1H3,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 441.98 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 156786833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).