N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine

C16H18N4O — CID 79817092

IUPACN,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CCOc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-20(2)15-9-8-13-16(19-15)18-14(17-13)10-11-21-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,17,18,19)
InChIKeyJRABIIXPQXDFQI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds5

About N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine

N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79817092) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79817092
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(CCOc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-20(2)15-9-8-13-16(19-15)18-14(17-13)10-11-21-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,17,18,19)
InChIKeyJRABIIXPQXDFQI-UHFFFAOYSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Byk-191023
CID 10308091
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
7H-Adenine, N-(o-methoxyphenyl)-
CID 52000
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
Anisiflupurin
CID 25169483
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11198512
2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11359197
2-{4-[2-(azepan-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 24901581
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
N-(3-methoxyphenyl)-9H-purin-6-amine
CID 670977

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79817092) is N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(CCOc3ccccc3)nc2n1.
What is the InChIKey of N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is JRABIIXPQXDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)15-9-8-13-16(19-15)18-14(17-13)10-11-21-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 282.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79817092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).