6-(2,2-dichloroethenyl)-1H-benzimidazole

C9H6Cl2N2 — CID 88779547

IUPAC6-(2,2-dichloroethenyl)-1H-benzimidazole
SMILESClC(Cl)=Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H6Cl2N2/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-5H,(H,12,13)
InChIKeyJECOKFMXFNZJMR-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.34
Rot. Bonds1

About 6-(2,2-dichloroethenyl)-1H-benzimidazole

6-(2,2-dichloroethenyl)-1H-benzimidazole (PubChem CID 88779547) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 6-(2,2-dichloroethenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2,2-dichloroethenyl)-1H-benzimidazole
PubChem CID88779547
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name6-(2,2-dichloroethenyl)-1H-benzimidazole
SMILESClC(Cl)=Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H6Cl2N2/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-5H,(H,12,13)
InChIKeyJECOKFMXFNZJMR-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethenyl-1H-benzimidazole
CID 145471752
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
CID 59909636
CID 59909636
CID 162726025
CID 162726025
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
S-[4-(3H-benzimidazol-5-yl)but-3-enyl] ethanethioate
CID 170480252
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661365
4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
CID 5423416
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dichloroethenyl)-1H-benzimidazole?
The IUPAC name of 6-(2,2-dichloroethenyl)-1H-benzimidazole (CID 88779547) is 6-(2,2-dichloroethenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2,2-dichloroethenyl)-1H-benzimidazole?
The canonical SMILES for 6-(2,2-dichloroethenyl)-1H-benzimidazole is ClC(Cl)=Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(2,2-dichloroethenyl)-1H-benzimidazole?
The InChIKey is JECOKFMXFNZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-5H,(H,12,13).
What are the key properties of 6-(2,2-dichloroethenyl)-1H-benzimidazole?
6-(2,2-dichloroethenyl)-1H-benzimidazole has a molecular weight of 213.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dichloroethenyl)-1H-benzimidazole is sourced from PubChem (CID 88779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).