1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone

C16H19N3O2 — CID 110867092

IUPAC1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCc3ncn(C)c3C2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-5-13(6-4-12)21-10-16(20)19-8-7-14-15(9-19)18(2)11-17-14/h3-6,11H,7-10H2,1-2H3
InChIKeyXEZBZQMRVQOYPR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone

1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 110867092) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
PubChem CID110867092
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCc3ncn(C)c3C2)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-5-13(6-4-12)21-10-16(20)19-8-7-14-15(9-19)18(2)11-17-14/h3-6,11H,7-10H2,1-2H3
InChIKeyXEZBZQMRVQOYPR-UHFFFAOYSA-N
XLogP1.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
2-(2-methoxyphenoxy)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110867093
2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110872640
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
CID 131659956
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526522
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532033
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone (CID 110867092) is 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCc3ncn(C)c3C2)cc1.
What is the InChIKey of 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is XEZBZQMRVQOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-3-5-13(6-4-12)21-10-16(20)19-8-7-14-15(9-19)18(2)11-17-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone?
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 110867092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).