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

C18H23N3O3 — CID 131659956

IUPAC1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCC1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21
InChIInChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)24-11-17(22)21-8-14(10-23-3)18-16(9-21)19-12-20(18)2/h4-7,12,14H,8-11H2,1-3H3
InChIKeyFPDPJTSBGMYIIJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.88
Rot. Bonds5

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

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 131659956) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
PubChem CID131659956
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCC1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21
InChIInChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)24-11-17(22)21-8-14(10-23-3)18-16(9-21)19-12-20(18)2/h4-7,12,14H,8-11H2,1-3H3
InChIKeyFPDPJTSBGMYIIJ-UHFFFAOYSA-N
XLogP1.88
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382934
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
CID 110867092
1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131660815
1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 118744328
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382943
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone
CID 121187472
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901

Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone (CID 131659956) is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone is COCC1CN(C(=O)COc2ccc(C)cc2)Cc2ncn(C)c21.
What is the InChIKey of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is FPDPJTSBGMYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)24-11-17(22)21-8-14(10-23-3)18-16(9-21)19-12-20(18)2/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone?
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 131659956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).