2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine

C17H18ClN3O — CID 145420177

IUPAC2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCCOc3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H18ClN3O/c1-11-8-15-17(19-10-11)21-16(20-15)4-3-7-22-13-6-5-12(2)14(18)9-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyNVLOJTIEYIUBOI-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine

2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 145420177) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID145420177
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCCOc3ccc(C)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H18ClN3O/c1-11-8-15-17(19-10-11)21-16(20-15)4-3-7-22-13-6-5-12(2)14(18)9-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyNVLOJTIEYIUBOI-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine (CID 145420177) is 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(CCCOc3ccc(C)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is NVLOJTIEYIUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-11-8-15-17(19-10-11)21-16(20-15)4-3-7-22-13-6-5-12(2)14(18)9-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 315.80 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methylphenoxy)propyl]-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145420177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).