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

C21H21N3O — CID 72882017

IUPAC2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(16-8-4-2-5-9-16)21(25)24-13-12-18-19(14-24)23-20(22-18)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyXRJYIHDJIWGZHW-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.77
Rot. Bonds3

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

2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 72882017) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID72882017
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(16-8-4-2-5-9-16)21(25)24-13-12-18-19(14-24)23-20(22-18)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyXRJYIHDJIWGZHW-UHFFFAOYSA-N
XLogP3.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 97437934
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
7-(2-phenylpropanoyl)-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167046
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
butyl 2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 72863884
1,6-dimethyl-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 72888149
3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91771641
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 72847006

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 72882017) is 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is CC(C(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is XRJYIHDJIWGZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(16-8-4-2-5-9-16)21(25)24-13-12-18-19(14-24)23-20(22-18)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 72882017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).