2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine

C16H17ClN4O — CID 93209820

IUPAC2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCc1ccc(OCc2nc3cc(Cl)cnc3n2CCN)cc1
InChIInChI=1S/C16H17ClN4O/c1-11-2-4-13(5-3-11)22-10-15-20-14-8-12(17)9-19-16(14)21(15)7-6-18/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyLDLIJIYKNBWQRA-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.93
Rot. Bonds5

About 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine

2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 93209820) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID93209820
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCc1ccc(OCc2nc3cc(Cl)cnc3n2CCN)cc1
InChIInChI=1S/C16H17ClN4O/c1-11-2-4-13(5-3-11)22-10-15-20-14-8-12(17)9-19-16(14)21(15)7-6-18/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyLDLIJIYKNBWQRA-UHFFFAOYSA-N
XLogP2.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-methyl-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150790
2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061704
2-[6-chloro-2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150825
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 82150963
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209647
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 93209820) is 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine is Cc1ccc(OCc2nc3cc(Cl)cnc3n2CCN)cc1.
What is the InChIKey of 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is LDLIJIYKNBWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-11-2-4-13(5-3-11)22-10-15-20-14-8-12(17)9-19-16(14)21(15)7-6-18/h2-5,8-9H,6-7,10,18H2,1H3.
What are the key properties of 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 316.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 93209820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).