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

C20H25N3O2 — CID 131696067

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCC1Cc2c(ncn2C)CN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C20H25N3O2/c1-22-13-21-18-11-23(17(12-25-2)10-19(18)22)20(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyOYNPIECXMMNLSC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.12
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 131696067) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID131696067
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOCC1Cc2c(ncn2C)CN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C20H25N3O2/c1-22-13-21-18-11-23(17(12-25-2)10-19(18)22)20(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,13-14,17H,7-12H2,1-2H3
InChIKeyOYNPIECXMMNLSC-UHFFFAOYSA-N
XLogP2.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97475682
[6-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-4-ylmethanone
CID 131696078
2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone
CID 124758014
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
(2,3-dimethylphenyl)-[3-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123901612
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
CID 131648447
[6-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155866633
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
(3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-5-yl)methanol
CID 20738529

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 131696067) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is COCC1Cc2c(ncn2C)CN1C(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is OYNPIECXMMNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-13-21-18-11-23(17(12-25-2)10-19(18)22)20(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,13-14,17H,7-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 131696067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).