2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine

C17H18ClN3O — CID 117165163

IUPAC2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(Cc2ccccc2Cl)nc2cccnc21
InChIInChI=1S/C17H18ClN3O/c1-22-11-5-10-21-16(12-13-6-2-3-7-14(13)18)20-15-8-4-9-19-17(15)21/h2-4,6-9H,5,10-12H2,1H3
InChIKeyBAZKIXPDZFRMRK-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.71
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine

2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine (PubChem CID 117165163) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
PubChem CID117165163
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(Cc2ccccc2Cl)nc2cccnc21
InChIInChI=1S/C17H18ClN3O/c1-22-11-5-10-21-16(12-13-6-2-3-7-14(13)18)20-15-8-4-9-19-17(15)21/h2-4,6-9H,5,10-12H2,1H3
InChIKeyBAZKIXPDZFRMRK-UHFFFAOYSA-N
XLogP3.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.71
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

2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
3-(3-methoxypropyl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163856
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine (CID 117165163) is 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine is COCCCn1c(Cc2ccccc2Cl)nc2cccnc21.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The InChIKey is BAZKIXPDZFRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-22-11-5-10-21-16(12-13-6-2-3-7-14(13)18)20-15-8-4-9-19-17(15)21/h2-4,6-9H,5,10-12H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine has a molecular weight of 315.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).