1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole

C9H12N2S — CID 123909527

IUPAC1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole
SMILESCSC1=c2c(ncn2C)=CCC1
InChIInChI=1S/C9H12N2S/c1-11-6-10-7-4-3-5-8(12-2)9(7)11/h4,6H,3,5H2,1-2H3
InChIKeyDPFUATNNSBBHPS-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.47
Rot. Bonds1

About 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole

1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole (PubChem CID 123909527) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole
PubChem CID123909527
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole
SMILESCSC1=c2c(ncn2C)=CCC1
InChIInChI=1S/C9H12N2S/c1-11-6-10-7-4-3-5-8(12-2)9(7)11/h4,6H,3,5H2,1-2H3
InChIKeyDPFUATNNSBBHPS-UHFFFAOYSA-N
XLogP0.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole 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

Ethane;1-methyl-5,6-dihydrobenzimidazole
CID 142804358
1-Methyl-5,6-dihydrobenzimidazole
CID 142804359
2-Ethylsulfanyl-1-methyl-5,6-dihydrobenzimidazole
CID 143899621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole?
The IUPAC name of 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole (CID 123909527) is 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole is CSC1=c2c(ncn2C)=CCC1.
What is the InChIKey of 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole?
The InChIKey is DPFUATNNSBBHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-11-6-10-7-4-3-5-8(12-2)9(7)11/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole?
1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole has a molecular weight of 180.28 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylsulfanyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 123909527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).