1-ethyl-3-methylbenzimidazole-2-thione

C10H12N2S — CID 3340109

IUPAC1-ethyl-3-methylbenzimidazole-2-thione
SMILESCCn1c(=S)n(C)c2ccccc21
InChIInChI=1S/C10H12N2S/c1-3-12-9-7-5-4-6-8(9)11(2)10(12)13/h4-7H,3H2,1-2H3
InChIKeyBLNDCZVBFRVGCN-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.73
Rot. Bonds1

About 1-ethyl-3-methylbenzimidazole-2-thione

1-ethyl-3-methylbenzimidazole-2-thione (PubChem CID 3340109) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-ethyl-3-methylbenzimidazole-2-thione.

Molecular Properties

Compound Name1-ethyl-3-methylbenzimidazole-2-thione
PubChem CID3340109
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-ethyl-3-methylbenzimidazole-2-thione
SMILESCCn1c(=S)n(C)c2ccccc21
InChIInChI=1S/C10H12N2S/c1-3-12-9-7-5-4-6-8(9)11(2)10(12)13/h4-7H,3H2,1-2H3
InChIKeyBLNDCZVBFRVGCN-UHFFFAOYSA-N
XLogP2.73
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methylbenzimidazole-2-thione 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

2-Mercaptobenzimidazole
CID 707035
1-Ebio
CID 82320
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
Thiourea, N-ethyl-N-phenyl-
CID 825369
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1,3-Dimethylbenzimidazoline-2-thione
CID 123191
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
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1-(2-Methoxy-ethyl)-1H-benzoimidazole-2-thiol
CID 3713419

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylbenzimidazole-2-thione?
The IUPAC name of 1-ethyl-3-methylbenzimidazole-2-thione (CID 3340109) is 1-ethyl-3-methylbenzimidazole-2-thione.
What is the SMILES notation for 1-ethyl-3-methylbenzimidazole-2-thione?
The canonical SMILES for 1-ethyl-3-methylbenzimidazole-2-thione is CCn1c(=S)n(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methylbenzimidazole-2-thione?
The InChIKey is BLNDCZVBFRVGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-12-9-7-5-4-6-8(9)11(2)10(12)13/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylbenzimidazole-2-thione?
1-ethyl-3-methylbenzimidazole-2-thione has a molecular weight of 192.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylbenzimidazole-2-thione is sourced from PubChem (CID 3340109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).