2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone

C21H14ClN3O2S — CID 20569725

IUPAC2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1c2ccccc2S(=O)c2ccc(Cl)cc21
InChIInChI=1S/C21H14ClN3O2S/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)28(20)27)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2
InChIKeyVWAMJQSZZYZEKS-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.53
Rot. Bonds2

About 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone

2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone (PubChem CID 20569725) has the molecular formula C21H14ClN3O2S and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone
PubChem CID20569725
Molecular FormulaC21H14ClN3O2S
Molecular Weight407.88 g/mol
Exact Mass407.05
IUPAC Name2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone
SMILESO=C(Cn1cnc2ccccc21)N1c2ccccc2S(=O)c2ccc(Cl)cc21
InChIInChI=1S/C21H14ClN3O2S/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)28(20)27)21(26)12-24-13-23-15-5-1-2-6-16(15)24/h1-11,13H,12H2
InChIKeyVWAMJQSZZYZEKS-UHFFFAOYSA-N
XLogP4.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone
CID 20569753
2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809506
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-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2408717
1-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)propan-2-one
CID 105089763
(3-chlorophenyl)-(5-oxophenothiazin-10-yl)methanone
CID 66507295
2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
CID 110445551
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
2-(benzimidazol-1-yl)-1-[3-(4-chloropyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 139008660
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone (CID 20569725) is 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone is O=C(Cn1cnc2ccccc21)N1c2ccccc2S(=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone?
The InChIKey is VWAMJQSZZYZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2S/c22-14-9-10-20-18(11-14)25(17-7-3-4-8-19(17)28(20)27)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-chloro-5-oxophenothiazin-10-yl)ethanone?
2-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)ethanone has a molecular weight of 407.88 g/mol, XLogP of 4.53, 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-chloro-5-oxophenothiazin-10-yl)ethanone is sourced from PubChem (CID 20569725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).