2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine

C14H12ClN3O — CID 81137085

IUPAC2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cl)cc1-c1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C14H12ClN3O/c1-8-3-5-11-14(16-8)18-13(17-11)10-7-9(15)4-6-12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMBXZUUDXDXTYDY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.60
Rot. Bonds2

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

2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81137085) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81137085
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cl)cc1-c1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C14H12ClN3O/c1-8-3-5-11-14(16-8)18-13(17-11)10-7-9(15)4-6-12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyMBXZUUDXDXTYDY-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
2-(2,5-dichlorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482699
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81136710
2-(2-chloro-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137815
5-fluoro-2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136789745
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(3-bromo-2-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113403041
2-[2-methoxy-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
CID 167890564
2-(4-chloro-3-methylphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113360589

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 81137085) is 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is COc1ccc(Cl)cc1-c1nc2nc(C)ccc2[nH]1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is MBXZUUDXDXTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-3-5-11-14(16-8)18-13(17-11)10-7-9(15)4-6-12(10)19-2/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81137085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).