2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole

C9H7ClN2S — CID 131246595

IUPAC2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
SMILESCl/C=C/Sc1nc2ccccc2[nH]1
InChIInChI=1S/C9H7ClN2S/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-6H,(H,11,12)/b6-5+
InChIKeyZGCALKMEMJAYNE-AATRIKPKSA-N
MW210.69 g/mol
LogP3.37
Rot. Bonds2

About 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole

2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole (PubChem CID 131246595) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
PubChem CID131246595
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
SMILESCl/C=C/Sc1nc2ccccc2[nH]1
InChIInChI=1S/C9H7ClN2S/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-6H,(H,11,12)/b6-5+
InChIKeyZGCALKMEMJAYNE-AATRIKPKSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole (CID 131246595) is 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole is Cl/C=C/Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole?
The InChIKey is ZGCALKMEMJAYNE-AATRIKPKSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-6H,(H,11,12)/b6-5+.
What are the key properties of 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole?
2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole has a molecular weight of 210.69 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole is sourced from PubChem (CID 131246595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).