3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione

C17H16N2S — CID 43660484

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2S/c1-11-5-8-16-15(9-11)18-17(20)19(16)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,18,20)
InChIKeyWSDLWVMKMQNTNO-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.49
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione

3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione (PubChem CID 43660484) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione
PubChem CID43660484
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2S/c1-11-5-8-16-15(9-11)18-17(20)19(16)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,18,20)
InChIKeyWSDLWVMKMQNTNO-UHFFFAOYSA-N
XLogP4.49
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-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

3-(3,5-dichloro-4-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 107575787
6-methyl-3-thiophen-3-yl-1H-benzimidazole-2-thione
CID 66350639
3-(4-ethoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43660308
3-(2-fluoro-5-methylphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43660881
3-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazole-2-thione
CID 81335011
6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione
CID 43660815
3-(2-hydroxycyclohexyl)-6-methyl-1H-benzimidazole-2-thione
CID 62358715
3-(5-chloro-2-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43661017
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547662
5,6-dimethoxy-3-(4-methylphenyl)-1H-benzimidazole-2-thione
CID 83005908
6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione
CID 43659314
6-bromo-3-(4-bromophenyl)-1H-benzimidazole-2-thione
CID 43660812

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione (CID 43660484) is 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione is Cc1ccc2c(c1)[nH]c(=S)n2-c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione?
The InChIKey is WSDLWVMKMQNTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-5-8-16-15(9-11)18-17(20)19(16)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,18,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione?
3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione has a molecular weight of 280.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 43660484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).