3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine

C14H12ClN3 — CID 135336062

IUPAC3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cc(Cl)cnc2n1Cc1ccccc1
InChIInChI=1S/C14H12ClN3/c1-10-17-13-7-12(15)8-16-14(13)18(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyOLINSNKFULDDNS-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.44
Rot. Bonds2

About 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine

3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine (PubChem CID 135336062) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
PubChem CID135336062
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2cc(Cl)cnc2n1Cc1ccccc1
InChIInChI=1S/C14H12ClN3/c1-10-17-13-7-12(15)8-16-14(13)18(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyOLINSNKFULDDNS-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061704
4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151478
3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745997
2-[6-chloro-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoic acid
CID 14953113
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
CID 1437811
2-[6-chloro-2-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209836
4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151480
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine (CID 135336062) is 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine is Cc1nc2cc(Cl)cnc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine?
The InChIKey is OLINSNKFULDDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-17-13-7-12(15)8-16-14(13)18(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine?
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 135336062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).