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

C17H18ClN3O — CID 117159702

IUPAC3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c1-22-11-5-9-16-20-15-8-4-10-19-17(15)21(16)12-13-6-2-3-7-14(13)18/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyRZFPBWJRKYRWET-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.71
Rot. Bonds6

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

3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine (PubChem CID 117159702) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
PubChem CID117159702
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c1-22-11-5-9-16-20-15-8-4-10-19-17(15)21(16)12-13-6-2-3-7-14(13)18/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyRZFPBWJRKYRWET-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

3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117165163
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159751
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine (CID 117159702) is 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine is COCCCc1nc2cccnc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The InChIKey is RZFPBWJRKYRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-22-11-5-9-16-20-15-8-4-10-19-17(15)21(16)12-13-6-2-3-7-14(13)18/h2-4,6-8,10H,5,9,11-12H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
3-[(2-chlorophenyl)methyl]-2-(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 3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117159702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).