6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C19H14ClN3OS — CID 166338015

IUPAC6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C19H14ClN3OS/c20-14-10-17-18(21-11-14)23-19(22-17)25-12-13-5-4-8-16(9-13)24-15-6-2-1-3-7-15/h1-11H,12H2,(H,21,22,23)
InChIKeyJOWHZXMWHURDPX-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.70
Rot. Bonds5

About 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 166338015) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID166338015
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C19H14ClN3OS/c20-14-10-17-18(21-11-14)23-19(22-17)25-12-13-5-4-8-16(9-13)24-15-6-2-1-3-7-15/h1-11H,12H2,(H,21,22,23)
InChIKeyJOWHZXMWHURDPX-UHFFFAOYSA-N
XLogP5.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoate
CID 6984441
6-chloro-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 1422924
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7624770
6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 3887128
5-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
CID 2442900
2-[(4-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 580871
2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
CID 682803
CID 163958367
CID 163958367
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 78656521
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 166338015) is 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Clc1cnc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is JOWHZXMWHURDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c20-14-10-17-18(21-11-14)23-19(22-17)25-12-13-5-4-8-16(9-13)24-15-6-2-1-3-7-15/h1-11H,12H2,(H,21,22,23).
What are the key properties of 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 367.86 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 166338015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).