1,3-dihydrobenzimidazole-2-thione;zinc

C7H6N2SZn — CID 66599268

IUPAC1,3-dihydrobenzimidazole-2-thione;zinc
SMILESS=c1[nH]c2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
InChIKeyLLZHXQRNOOAOFF-UHFFFAOYSA-N
MW215.60 g/mol
LogP2.22
Rot. Bonds

About 1,3-dihydrobenzimidazole-2-thione;zinc

1,3-dihydrobenzimidazole-2-thione;zinc (PubChem CID 66599268) has the molecular formula C7H6N2SZn and a molecular weight of 215.60 g/mol. Its IUPAC name is 1,3-dihydrobenzimidazole-2-thione;zinc.

Molecular Properties

Compound Name1,3-dihydrobenzimidazole-2-thione;zinc
PubChem CID66599268
Molecular FormulaC7H6N2SZn
Molecular Weight215.60 g/mol
Exact Mass213.95
IUPAC Name1,3-dihydrobenzimidazole-2-thione;zinc
SMILESS=c1[nH]c2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
InChIKeyLLZHXQRNOOAOFF-UHFFFAOYSA-N
XLogP2.22
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-dihydrobenzimidazole-2-thione;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylthiourea
CID 676454
2-Mercaptobenzimidazole
CID 707035
2-Hydroxy benzimidazole
CID 11985
Methyl-2-mercaptobenzimidazole
CID 3034478
2-Benzimidazolinethione, 5-chloro-
CID 2056429
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
6-Amino-2-mercaptobenzimidazole
CID 2734002
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
1,3-Dimethylbenzimidazoline-2-thione
CID 123191
4-Methyl-1,3-dihydrobenzimidazole-2-thione;ZINC
CID 57358321
11-Ethyl-13-sulfanyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
CID 3833874
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzimidazole-2-thione;zinc?
The IUPAC name of 1,3-dihydrobenzimidazole-2-thione;zinc (CID 66599268) is 1,3-dihydrobenzimidazole-2-thione;zinc.
What is the SMILES notation for 1,3-dihydrobenzimidazole-2-thione;zinc?
The canonical SMILES for 1,3-dihydrobenzimidazole-2-thione;zinc is S=c1[nH]c2ccccc2[nH]1.[Zn].
What is the InChIKey of 1,3-dihydrobenzimidazole-2-thione;zinc?
The InChIKey is LLZHXQRNOOAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);.
What are the key properties of 1,3-dihydrobenzimidazole-2-thione;zinc?
1,3-dihydrobenzimidazole-2-thione;zinc has a molecular weight of 215.60 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzimidazole-2-thione;zinc is sourced from PubChem (CID 66599268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).