2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine

C17H27N3O2S — CID 141082506

IUPAC2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
SMILESCCCCc1nc2cncc(C)c2n1CCCCCS(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-4-5-9-16-19-15-13-18-12-14(2)17(15)20(16)10-7-6-8-11-23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyMTWIMPRFJKGFMG-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.30
Rot. Bonds9

About 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine

2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine (PubChem CID 141082506) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
PubChem CID141082506
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
SMILESCCCCc1nc2cncc(C)c2n1CCCCCS(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-4-5-9-16-19-15-13-18-12-14(2)17(15)20(16)10-7-6-8-11-23(3,21)22/h12-13H,4-11H2,1-3H3
InChIKeyMTWIMPRFJKGFMG-UHFFFAOYSA-N
XLogP3.30
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.30
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-1-(5-butylsulfonylpentyl)-7-methylimidazo[4,5-c]pyridine
CID 141082451
2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
CID 141082406
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
CID 141093830
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
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
2-butyl-5-methyl-1-(4-methylsulfonylbutyl)-5aH-imidazo[4,5-c]quinolin-4-amine
CID 163894520
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79296529
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 103593576
1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
CID 141082510

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine (CID 141082506) is 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine is CCCCc1nc2cncc(C)c2n1CCCCCS(C)(=O)=O.
What is the InChIKey of 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine?
The InChIKey is MTWIMPRFJKGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-5-9-16-19-15-13-18-12-14(2)17(15)20(16)10-7-6-8-11-23(3,21)22/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine?
2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine has a molecular weight of 337.49 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).