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

C14H12ClN3 — CID 82142267

IUPAC6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCc3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12ClN3/c15-11-8-12-14(16-9-11)18-13(17-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18)
InChIKeyYDGNVVVSCINDLD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.40
Rot. Bonds3

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

6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 82142267) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID82142267
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(CCc3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12ClN3/c15-11-8-12-14(16-9-11)18-13(17-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18)
InChIKeyYDGNVVVSCINDLD-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 23026078
6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
CID 23025563
8-(3-phenylpropyl)-7H-purine
CID 114402499
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 78656521
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
6-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 166338015
N-[2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 79795868
8-benzyl-2-chloro-7H-purine
CID 150669812
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 170986716
6-chloro-2-methyl-1H-imidazo[4,5-b]pyridine
CID 18526616

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine (CID 82142267) is 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine is Clc1cnc2nc(CCc3ccccc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is YDGNVVVSCINDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-11-8-12-14(16-9-11)18-13(17-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17,18).
What are the key properties of 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine?
6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 257.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 82142267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).