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

C22H29N3S — CID 141082503

IUPAC6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCCCSc1ccccc1
InChIInChI=1S/C22H29N3S/c1-4-11-21-24-20-16-23-18(3)17(2)22(20)25(21)14-9-6-10-15-26-19-12-7-5-8-13-19/h5,7-8,12-13,16H,4,6,9-11,14-15H2,1-3H3
InChIKeyVAVSYKCPMZAMCI-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.96
Rot. Bonds9

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

6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine (PubChem CID 141082503) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
PubChem CID141082503
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCCCSc1ccccc1
InChIInChI=1S/C22H29N3S/c1-4-11-21-24-20-16-23-18(3)17(2)22(20)25(21)14-9-6-10-15-26-19-12-7-5-8-13-19/h5,7-8,12-13,16H,4,6,9-11,14-15H2,1-3H3
InChIKeyVAVSYKCPMZAMCI-UHFFFAOYSA-N
XLogP5.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.96
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

1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082376
6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
CID 141082432
1-[3-(2,4-dichlorophenyl)sulfanylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 69193259
1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082387
2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082277
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
CID 141082298
nickel;octylsulfanylbenzene
CID 157277722
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320531
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione
CID 68540420

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine?
The IUPAC name of 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine (CID 141082503) is 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine is CCCc1nc2cnc(C)c(C)c2n1CCCCCSc1ccccc1.
What is the InChIKey of 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine?
The InChIKey is VAVSYKCPMZAMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-4-11-21-24-20-16-23-18(3)17(2)22(20)25(21)14-9-6-10-15-26-19-12-7-5-8-13-19/h5,7-8,12-13,16H,4,6,9-11,14-15H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine?
6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine has a molecular weight of 367.56 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).