2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone

C18H15N3OS — CID 607816

IUPAC2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone
SMILESCc1nccn1CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H15N3OS/c1-13-19-10-11-20(13)12-18(22)21-14-6-2-4-8-16(14)23-17-9-5-3-7-15(17)21/h2-11H,12H2,1H3
InChIKeyVYUGDSUSXQZYBT-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.02
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone

2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone (PubChem CID 607816) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone
PubChem CID607816
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone
SMILESCc1nccn1CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H15N3OS/c1-13-19-10-11-20(13)12-18(22)21-14-6-2-4-8-16(14)23-17-9-5-3-7-15(17)21/h2-11H,12H2,1H3
InChIKeyVYUGDSUSXQZYBT-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone (CID 607816) is 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone is Cc1nccn1CC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone?
The InChIKey is VYUGDSUSXQZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13-19-10-11-20(13)12-18(22)21-14-6-2-4-8-16(14)23-17-9-5-3-7-15(17)21/h2-11H,12H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone?
2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone has a molecular weight of 321.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).