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

C16H17N3O2 — CID 72843643

IUPAC1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
SMILESCCC(=O)C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C16H17N3O2/c1-2-14(20)16(21)19-9-8-12-13(10-19)18-15(17-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)
InChIKeyXATUJHBYKPEMDE-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.94
Rot. Bonds3

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

1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione (PubChem CID 72843643) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione.

Molecular Properties

Compound Name1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
PubChem CID72843643
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
SMILESCCC(=O)C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1
InChIInChI=1S/C16H17N3O2/c1-2-14(20)16(21)19-9-8-12-13(10-19)18-15(17-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18)
InChIKeyXATUJHBYKPEMDE-UHFFFAOYSA-N
XLogP1.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 72863884
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72910183
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 72847006
1,6-dimethyl-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 72888149
1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
CID 171134948
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
3-[5-(1-ethylpyrazole-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91762486
3-[5-(5-ethyl-4-methylpyrazolidine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 133264671

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione?
The IUPAC name of 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione (CID 72843643) is 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione.
What is the SMILES notation for 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione?
The canonical SMILES for 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione is CCC(=O)C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1.
What is the InChIKey of 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione?
The InChIKey is XATUJHBYKPEMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-14(20)16(21)19-9-8-12-13(10-19)18-15(17-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,18).
What are the key properties of 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione?
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione has a molecular weight of 283.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione is sourced from PubChem (CID 72843643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).