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

C16H16ClN3 — CID 117165274

IUPAC2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(Cc2ccccc2Cl)nc2cccnc21
InChIInChI=1S/C16H16ClN3/c1-2-10-20-15(11-12-6-3-4-7-13(12)17)19-14-8-5-9-18-16(14)20/h3-9H,2,10-11H2,1H3
InChIKeyJBDVPIGHUYXXPS-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.09
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 117165274) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
PubChem CID117165274
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(Cc2ccccc2Cl)nc2cccnc21
InChIInChI=1S/C16H16ClN3/c1-2-10-20-15(11-12-6-3-4-7-13(12)17)19-14-8-5-9-18-16(14)20/h3-9H,2,10-11H2,1H3
InChIKeyJBDVPIGHUYXXPS-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117165163
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
CID 156599914
3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165183
2-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165282
3-(bromomethyl)-5-[(2-chlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302553
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine (CID 117165274) is 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine is CCCn1c(Cc2ccccc2Cl)nc2cccnc21.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is JBDVPIGHUYXXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-10-20-15(11-12-6-3-4-7-13(12)17)19-14-8-5-9-18-16(14)20/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine?
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).