2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone

C15H11ClN2OS — CID 43218263

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)14(19)9-20-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyVDPIPJATNRYVJD-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.19
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone (PubChem CID 43218263) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
PubChem CID43218263
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)14(19)9-20-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyVDPIPJATNRYVJD-UHFFFAOYSA-N
XLogP4.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135887538
2-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-3-yl)ethanone
CID 2420704
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 1383157
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
2-[[5-(1H-benzimidazol-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone bromide
CID 21176561

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone (CID 43218263) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1cccc(Cl)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone?
The InChIKey is VDPIPJATNRYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)14(19)9-20-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone has a molecular weight of 302.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 43218263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).