2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone

C23H25N3O2S — CID 75398229

IUPAC2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(SCC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-19-8-5-9-20(14-19)29-16-23(27)25-13-11-22-21(15-25)24-17-26(22)12-10-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyFWMBVHGYDNROOO-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.81
Rot. Bonds7

About 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone

2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 75398229) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID75398229
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(SCC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-19-8-5-9-20(14-19)29-16-23(27)25-13-11-22-21(15-25)24-17-26(22)12-10-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyFWMBVHGYDNROOO-UHFFFAOYSA-N
XLogP3.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 75519055
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 39044812
[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 84594145
2-(3-methoxyphenyl)sulfanyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 131909461
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112536196
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
1-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 99699881
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-[2-(3-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 119357019
(3S,4S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951850
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862913

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 75398229) is 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is COc1cccc(SCC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is FWMBVHGYDNROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-28-19-8-5-9-20(14-19)29-16-23(27)25-13-11-22-21(15-25)24-17-26(22)12-10-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 407.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 75398229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).