1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone

C18H14ClN3OS — CID 54337450

IUPAC1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H14ClN3OS/c1-12-20-8-9-21(12)11-18(23)22-14-4-2-3-5-16(14)24-17-7-6-13(19)10-15(17)22/h2-10H,11H2,1H3
InChIKeyTWMXLELIXACJFJ-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.67
Rot. Bonds2

About 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone

1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 54337450) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID54337450
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C18H14ClN3OS/c1-12-20-8-9-21(12)11-18(23)22-14-4-2-3-5-16(14)24-17-7-6-13(19)10-15(17)22/h2-10H,11H2,1H3
InChIKeyTWMXLELIXACJFJ-UHFFFAOYSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone (CID 54337450) is 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is TWMXLELIXACJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-12-20-8-9-21(12)11-18(23)22-14-4-2-3-5-16(14)24-17-7-6-13(19)10-15(17)22/h2-10H,11H2,1H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone?
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 355.85 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 54337450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).