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

C20H23Cl2N3S — CID 69193259

IUPAC1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCSc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3S/c1-4-6-19-24-17-12-23-14(3)13(2)20(17)25(19)9-5-10-26-18-8-7-15(21)11-16(18)22/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyNTZFORMAMXDVBH-UHFFFAOYSA-N
MW408.40 g/mol
LogP6.49
Rot. Bonds7

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

1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (PubChem CID 69193259) has the molecular formula C20H23Cl2N3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
PubChem CID69193259
Molecular FormulaC20H23Cl2N3S
Molecular Weight408.40 g/mol
Exact Mass407.10
IUPAC Name1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCSc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3S/c1-4-6-19-24-17-12-23-14(3)13(2)20(17)25(19)9-5-10-26-18-8-7-15(21)11-16(18)22/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyNTZFORMAMXDVBH-UHFFFAOYSA-N
XLogP6.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
CID 141082432
6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
CID 141082503
1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082376
1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082387
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-5-methylbenzimidazole
CID 114248558
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-7-methylbenzimidazole
CID 114248532
2-(2,4-dichlorophenyl)-1-hexyl-6-propylsulfanylbenzimidazole
CID 134084050
3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
CID 2038367
2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082386
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (CID 69193259) is 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is CCCc1nc2cnc(C)c(C)c2n1CCCSc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The InChIKey is NTZFORMAMXDVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3S/c1-4-6-19-24-17-12-23-14(3)13(2)20(17)25(19)9-5-10-26-18-8-7-15(21)11-16(18)22/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine has a molecular weight of 408.40 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 69193259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).