2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone

C15H11ClN2OS — CID 587472

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)14(19)9-20-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYTSMQPRJZFFLDG-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.19
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone (PubChem CID 587472) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone
PubChem CID587472
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)14(19)9-20-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYTSMQPRJZFFLDG-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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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone (CID 587472) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone?
The InChIKey is YTSMQPRJZFFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)14(19)9-20-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-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-(4-chlorophenyl)ethanone is sourced from PubChem (CID 587472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).