7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one

C20H16N2O3S — CID 23644937

IUPAC7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(Sc3nccn3C)oc2c1
InChIInChI=1S/C20H16N2O3S/c1-22-11-10-21-20(22)26-19-17(13-6-4-3-5-7-13)18(23)15-9-8-14(24-2)12-16(15)25-19/h3-12H,1-2H3
InChIKeySENIJJQBAVAVIC-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.35
Rot. Bonds4

About 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one

7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one (PubChem CID 23644937) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one
PubChem CID23644937
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(Sc3nccn3C)oc2c1
InChIInChI=1S/C20H16N2O3S/c1-22-11-10-21-20(22)26-19-17(13-6-4-3-5-7-13)18(23)15-9-8-14(24-2)12-16(15)25-19/h3-12H,1-2H3
InChIKeySENIJJQBAVAVIC-UHFFFAOYSA-N
XLogP4.35
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one?
The IUPAC name of 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one (CID 23644937) is 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one.
What is the SMILES notation for 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one?
The canonical SMILES for 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one is COc1ccc2c(=O)c(-c3ccccc3)c(Sc3nccn3C)oc2c1.
What is the InChIKey of 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one?
The InChIKey is SENIJJQBAVAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-22-11-10-21-20(22)26-19-17(13-6-4-3-5-7-13)18(23)15-9-8-14(24-2)12-16(15)25-19/h3-12H,1-2H3.
What are the key properties of 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one?
7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one has a molecular weight of 364.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1-methylimidazol-2-yl)sulfanyl-3-phenylchromen-4-one is sourced from PubChem (CID 23644937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).