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

C21H20ClN3O2 — CID 164695789

IUPAC2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(C2CN(C(=O)Cc3ccc(Cl)cc3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-17-8-4-15(5-9-17)18-11-25(12-19-21(18)24-13-23-19)20(26)10-14-2-6-16(22)7-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24)
InChIKeyMTKJQJGFFVVOGI-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.79
Rot. Bonds4

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

2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 164695789) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID164695789
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(C2CN(C(=O)Cc3ccc(Cl)cc3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-17-8-4-15(5-9-17)18-11-25(12-19-21(18)24-13-23-19)20(26)10-14-2-6-16(22)7-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24)
InChIKeyMTKJQJGFFVVOGI-UHFFFAOYSA-N
XLogP3.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone 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

2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427708
1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165418997
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692477
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 164695789) is 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is COc1ccc(C2CN(C(=O)Cc3ccc(Cl)cc3)Cc3[nH]cnc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is MTKJQJGFFVVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-17-8-4-15(5-9-17)18-11-25(12-19-21(18)24-13-23-19)20(26)10-14-2-6-16(22)7-3-14/h2-9,13,18H,10-12H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 381.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 164695789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).