1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine

C20H24ClN3O2S — CID 141082387

IUPAC1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2S/c1-4-6-19-23-18-13-22-15(3)14(2)20(18)24(19)11-5-12-27(25,26)17-9-7-16(21)8-10-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyHWBMXSOJBVZDGF-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.52
Rot. Bonds7

About 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine

1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (PubChem CID 141082387) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
PubChem CID141082387
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2S/c1-4-6-19-23-18-13-22-15(3)14(2)20(18)24(19)11-5-12-27(25,26)17-9-7-16(21)8-10-17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyHWBMXSOJBVZDGF-UHFFFAOYSA-N
XLogP4.52
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 69193259
6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
CID 141082432
1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082376
6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
CID 141082503
2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082358
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
CID 141093830
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
1-(3-chloropropylsulfonyl)-4-propylbenzene
CID 93189173
2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
CID 141082451
2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082506

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (CID 141082387) is 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is CCCc1nc2cnc(C)c(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The InChIKey is HWBMXSOJBVZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-4-6-19-23-18-13-22-15(3)14(2)20(18)24(19)11-5-12-27(25,26)17-9-7-16(21)8-10-17/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine has a molecular weight of 405.95 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).