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

C21H14ClN3OS — CID 20569753

IUPAC2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H14ClN3OS/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)27-20)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2
InChIKeyUKVGCYXFFJBNCO-UHFFFAOYSA-N
MW391.88 g/mol
LogP5.52
Rot. Bonds2

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

2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone (PubChem CID 20569753) has the molecular formula C21H14ClN3OS and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
PubChem CID20569753
Molecular FormulaC21H14ClN3OS
Molecular Weight391.88 g/mol
Exact Mass391.05
IUPAC Name2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C21H14ClN3OS/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)27-20)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2
InChIKeyUKVGCYXFFJBNCO-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.88
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone
CID 20569725
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
1-(2-chlorophenothiazin-10-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1160651
(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 2270544
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-2-one
CID 8548058
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
CID 70707147
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 4171967
2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809506

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone (CID 20569753) is 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone is O=C(Cn1cnc2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone?
The InChIKey is UKVGCYXFFJBNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3OS/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)27-20)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone?
2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone has a molecular weight of 391.88 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone is sourced from PubChem (CID 20569753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).