N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine

C16H18N4O — CID 79817012

IUPACN-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CCOc3cccc(C)c3)nc2n1
InChIInChI=1S/C16H18N4O/c1-11-4-3-5-12(10-11)21-9-8-15-18-13-6-7-14(17-2)19-16(13)20-15/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLWGSIMUWXMMNQS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine

N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79817012) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79817012
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CCOc3cccc(C)c3)nc2n1
InChIInChI=1S/C16H18N4O/c1-11-4-3-5-12(10-11)21-9-8-15-18-13-6-7-14(17-2)19-16(13)20-15/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLWGSIMUWXMMNQS-UHFFFAOYSA-N
XLogP2.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
2-ethyl-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821418
2-[(4-aminophenoxy)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821122
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817092
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821467

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79817012) is N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(CCOc3cccc(C)c3)nc2n1.
What is the InChIKey of N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is LWGSIMUWXMMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-3-5-12(10-11)21-9-8-15-18-13-6-7-14(17-2)19-16(13)20-15/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine?
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 282.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79817012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).