2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine

C25H21N3O3S — CID 54354418

IUPAC2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc2cc(-c3nc4ccncc4[nH]3)cc(OCCS(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H21N3O3S/c1-30-19-8-7-17-13-18(25-27-22-9-10-26-16-23(22)28-25)14-24(21(17)15-19)31-11-12-32(29)20-5-3-2-4-6-20/h2-10,13-16H,11-12H2,1H3,(H,27,28)
InChIKeyUICIRMSDSMHAHK-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.97
Rot. Bonds7

About 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine

2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 54354418) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID54354418
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc2cc(-c3nc4ccncc4[nH]3)cc(OCCS(=O)c3ccccc3)c2c1
InChIInChI=1S/C25H21N3O3S/c1-30-19-8-7-17-13-18(25-27-22-9-10-26-16-23(22)28-25)14-24(21(17)15-19)31-11-12-32(29)20-5-3-2-4-6-20/h2-10,13-16H,11-12H2,1H3,(H,27,28)
InChIKeyUICIRMSDSMHAHK-UHFFFAOYSA-N
XLogP4.97
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine (CID 54354418) is 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine is COc1ccc2cc(-c3nc4ccncc4[nH]3)cc(OCCS(=O)c3ccccc3)c2c1.
What is the InChIKey of 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is UICIRMSDSMHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-30-19-8-7-17-13-18(25-27-22-9-10-26-16-23(22)28-25)14-24(21(17)15-19)31-11-12-32(29)20-5-3-2-4-6-20/h2-10,13-16H,11-12H2,1H3,(H,27,28).
What are the key properties of 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine?
2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 443.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(benzenesulfinyl)ethoxy]-6-methoxynaphthalen-2-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 54354418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).