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

C17H16ClN3O — CID 117165183

IUPAC2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1ccccc1Cc1nc2cccnc2n1C1CCOC1
InChIInChI=1S/C17H16ClN3O/c18-14-5-2-1-4-12(14)10-16-20-15-6-3-8-19-17(15)21(16)13-7-9-22-11-13/h1-6,8,13H,7,9-11H2
InChIKeyQPAHNCPTPGJUNN-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.64
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117165183) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117165183
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESClc1ccccc1Cc1nc2cccnc2n1C1CCOC1
InChIInChI=1S/C17H16ClN3O/c18-14-5-2-1-4-12(14)10-16-20-15-6-3-8-19-17(15)21(16)13-7-9-22-11-13/h1-6,8,13H,7,9-11H2
InChIKeyQPAHNCPTPGJUNN-UHFFFAOYSA-N
XLogP3.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165182
3-(oxolan-3-yl)-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161501
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
2-(2-methoxyethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117159846
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
3-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159557
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
3-(oxolan-3-yl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162190

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine (CID 117165183) is 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine is Clc1ccccc1Cc1nc2cccnc2n1C1CCOC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is QPAHNCPTPGJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-5-2-1-4-12(14)10-16-20-15-6-3-8-19-17(15)21(16)13-7-9-22-11-13/h1-6,8,13H,7,9-11H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
2-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.79 g/mol, XLogP of 3.64, 3 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-(oxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).