2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

C17H25Cl2N3O — CID 154898940

IUPAC2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCCCCOc1ccc(C)cc1-c1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C17H23N3O.2ClH/c1-3-4-9-21-16-6-5-12(2)10-13(16)17-19-14-7-8-18-11-15(14)20-17;;/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,20);2*1H
InChIKeyRUHNFCDUZLETCK-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 154898940) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID154898940
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC Name2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCCCCOc1ccc(C)cc1-c1nc2c([nH]1)CNCC2.Cl.Cl
InChIInChI=1S/C17H23N3O.2ClH/c1-3-4-9-21-16-6-5-12(2)10-13(16)17-19-14-7-8-18-11-15(14)20-17;;/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,20);2*1H
InChIKeyRUHNFCDUZLETCK-UHFFFAOYSA-N
XLogP4.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72839524
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154899949
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
1-butoxy-4-methyl-2-methylsulfanylbenzene
CID 22950612
[6-(2-butoxy-5-methylphenyl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 77087048
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
1-butoxy-4-methyl-2-[4-(2-methylpropyl)phenyl]benzene
CID 59132679
2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 90683110
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 154898940) is 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is CCCCOc1ccc(C)cc1-c1nc2c([nH]1)CNCC2.Cl.Cl.
What is the InChIKey of 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is RUHNFCDUZLETCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.2ClH/c1-3-4-9-21-16-6-5-12(2)10-13(16)17-19-14-7-8-18-11-15(14)20-17;;/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 154898940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).