2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C17H21N3O3 — CID 72891552

IUPAC2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCOCCOCC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C17H21N3O3/c1-22-9-10-23-12-16(21)20-8-7-14-15(11-20)19-17(18-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,18,19)
InChIKeyRMPPNZJZKSMLQX-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 72891552) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID72891552
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCOCCOCC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C17H21N3O3/c1-22-9-10-23-12-16(21)20-8-7-14-15(11-20)19-17(18-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,18,19)
InChIKeyRMPPNZJZKSMLQX-UHFFFAOYSA-N
XLogP1.62
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 72863884
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
2-(4-methylphenyl)-6-(2-phenylmethoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135538481
1,6-dimethyl-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 72888149
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72910183
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
CID 171134948
1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 91793391
N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 74248478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 72891552) is 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is COCCOCC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is RMPPNZJZKSMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-9-10-23-12-16(21)20-8-7-14-15(11-20)19-17(18-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 72891552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).