2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine

C20H33N3O2S — CID 141082451

IUPAC2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
SMILESCCCCc1nc2cncc(C)c2n1CCCCCS(=O)(=O)CCCC
InChIInChI=1S/C20H33N3O2S/c1-4-6-11-19-22-18-16-21-15-17(3)20(18)23(19)12-9-8-10-14-26(24,25)13-7-5-2/h15-16H,4-14H2,1-3H3
InChIKeyAIUDLAURZVCTRL-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.47
Rot. Bonds12

About 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine

2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine (PubChem CID 141082451) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
PubChem CID141082451
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Name2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
SMILESCCCCc1nc2cncc(C)c2n1CCCCCS(=O)(=O)CCCC
InChIInChI=1S/C20H33N3O2S/c1-4-6-11-19-22-18-16-21-15-17(3)20(18)23(19)12-9-8-10-14-26(24,25)13-7-5-2/h15-16H,4-14H2,1-3H3
InChIKeyAIUDLAURZVCTRL-UHFFFAOYSA-N
XLogP4.47
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082506
2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
CID 141082406
2-(ethoxymethyl)-7-methyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082531
2-ethyl-7-methyl-1-(3-pyrimidin-2-ylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082386
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
CID 141093830
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
CID 141082510
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
CID 174513407
2-(ethoxymethyl)-7-methyl-1-(3-phenylsulfanylpropyl)imidazo[4,5-c]pyridine
CID 141082277
4-(4-butyl-11-methyl-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaen-3-yl)butyl carbamate
CID 175435262

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine (CID 141082451) is 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine is CCCCc1nc2cncc(C)c2n1CCCCCS(=O)(=O)CCCC.
What is the InChIKey of 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine?
The InChIKey is AIUDLAURZVCTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-4-6-11-19-22-18-16-21-15-17(3)20(18)23(19)12-9-8-10-14-26(24,25)13-7-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine?
2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine has a molecular weight of 379.57 g/mol, XLogP of 4.47, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).