5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C21H23N3O2S — CID 133452613

IUPAC5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2S/c1-27(25,26)19-9-7-18(8-10-19)23-14-12-21-20(15-23)22-16-24(21)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKeyHUBACOYDVWWAQB-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.09
Rot. Bonds5

About 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 133452613) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID133452613
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2S/c1-27(25,26)19-9-7-18(8-10-19)23-14-12-21-20(15-23)22-16-24(21)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKeyHUBACOYDVWWAQB-UHFFFAOYSA-N
XLogP3.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 133452613) is 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CS(=O)(=O)c1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is HUBACOYDVWWAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-27(25,26)19-9-7-18(8-10-19)23-14-12-21-20(15-23)22-16-24(21)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 381.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 133452613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).