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

C19H31N3S — CID 141082376

IUPAC1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCCSCCCCn1c(CCC)nc2cnc(C)c(C)c21
InChIInChI=1S/C19H31N3S/c1-5-7-12-23-13-9-8-11-22-18(10-6-2)21-17-14-20-16(4)15(3)19(17)22/h14H,5-13H2,1-4H3
InChIKeyWJQIONVGMAMTTA-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.31
Rot. Bonds10

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

1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (PubChem CID 141082376) has the molecular formula C19H31N3S and a molecular weight of 333.55 g/mol. Its IUPAC name is 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
PubChem CID141082376
Molecular FormulaC19H31N3S
Molecular Weight333.55 g/mol
Exact Mass333.22
IUPAC Name1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
SMILESCCCCSCCCCn1c(CCC)nc2cnc(C)c(C)c21
InChIInChI=1S/C19H31N3S/c1-5-7-12-23-13-9-8-11-22-18(10-6-2)21-17-14-20-16(4)15(3)19(17)22/h14H,5-13H2,1-4H3
InChIKeyWJQIONVGMAMTTA-UHFFFAOYSA-N
XLogP5.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.31
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-[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
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
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
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
CID 174513407
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082358
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-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine (CID 141082376) is 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is CCCCSCCCCn1c(CCC)nc2cnc(C)c(C)c21.
What is the InChIKey of 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
The InChIKey is WJQIONVGMAMTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3S/c1-5-7-12-23-13-9-8-11-22-18(10-6-2)21-17-14-20-16(4)15(3)19(17)22/h14H,5-13H2,1-4H3.
What are the key properties of 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine?
1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine has a molecular weight of 333.55 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).