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

C22H24N4O2 — CID 164689674

IUPAC2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESNCCOc1cccc(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c1
InChIInChI=1S/C22H24N4O2/c23-9-10-28-18-8-4-5-16(11-18)12-21(27)26-13-19(17-6-2-1-3-7-17)22-20(14-26)24-15-25-22/h1-8,11,15,19H,9-10,12-14,23H2,(H,24,25)
InChIKeyPVZVYTZFSDTHGM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.46
Rot. Bonds6

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

2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 164689674) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID164689674
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESNCCOc1cccc(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c1
InChIInChI=1S/C22H24N4O2/c23-9-10-28-18-8-4-5-16(11-18)12-21(27)26-13-19(17-6-2-1-3-7-17)22-20(14-26)24-15-25-22/h1-8,11,15,19H,9-10,12-14,23H2,(H,24,25)
InChIKeyPVZVYTZFSDTHGM-UHFFFAOYSA-N
XLogP2.46
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
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-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692477
2-(4-chlorophenyl)-1-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 164695789
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
2-[3-(2-aminoethoxy)phenyl]-1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethanone;hydrochloride
CID 155938808
2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171153351
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one
CID 165426094
2-(3,5-dimethylpyrazol-1-yl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 165419182
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 165418989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 164689674) is 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is NCCOc1cccc(CC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is PVZVYTZFSDTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-9-10-28-18-8-4-5-16(11-18)12-21(27)26-13-19(17-6-2-1-3-7-17)22-20(14-26)24-15-25-22/h1-8,11,15,19H,9-10,12-14,23H2,(H,24,25).
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 164689674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).