2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

C19H22ClN3O3 — CID 154743924

IUPAC2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C19H22ClN3O3/c1-25-16-3-2-14(20)10-13(16)11-17(24)23-7-4-15-18(22-12-21-15)19(23)5-8-26-9-6-19/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)
InChIKeyCQQMYXDSOKLUCQ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.70
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone

2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (PubChem CID 154743924) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
PubChem CID154743924
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C19H22ClN3O3/c1-25-16-3-2-14(20)10-13(16)11-17(24)23-7-4-15-18(22-12-21-15)19(23)5-8-26-9-6-19/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)
InChIKeyCQQMYXDSOKLUCQ-UHFFFAOYSA-N
XLogP2.70
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone with MolForge

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Related Compounds

6-[2-(5-chloro-2-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136517100
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72866151
1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72927102
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318
3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122133580
cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72856407
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60957270
2-(5-chloro-2-methoxyphenyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406639
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone (CID 154743924) is 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is COc1ccc(Cl)cc1CC(=O)N1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
The InChIKey is CQQMYXDSOKLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-25-16-3-2-14(20)10-13(16)11-17(24)23-7-4-15-18(22-12-21-15)19(23)5-8-26-9-6-19/h2-3,10,12H,4-9,11H2,1H3,(H,21,22).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone?
2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone has a molecular weight of 375.86 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone is sourced from PubChem (CID 154743924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).