3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione

C16H20N2S — CID 107850907

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2CCC1=CCCCC1
InChIInChI=1S/C16H20N2S/c1-12-7-8-15-14(11-12)17-16(19)18(15)10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,17,19)
InChIKeySVSRTTRFSUXPSL-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.90
Rot. Bonds3

About 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione

3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione (PubChem CID 107850907) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione
PubChem CID107850907
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2CCC1=CCCCC1
InChIInChI=1S/C16H20N2S/c1-12-7-8-15-14(11-12)17-16(19)18(15)10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,17,19)
InChIKeySVSRTTRFSUXPSL-UHFFFAOYSA-N
XLogP4.90
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclohexen-1-yl)ethyl]-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-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione
CID 106171698
3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 82089640
3-[2-(cyclopenten-1-yl)ethyl]-6-methoxy-1H-benzimidazole-2-thione
CID 106171644
5,6-dichloro-3-[2-(cyclopenten-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 106171626
6-methyl-3-[2-(3-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 63547293
3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 807484
3-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850902
4-chloro-3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 107850927
6-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419458
6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
CID 63831401
3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one
CID 82084909
6-methyl-3-(3-methyl-2-propan-2-ylbutyl)-1H-benzimidazole-2-thione
CID 102906761

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione (CID 107850907) is 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione is Cc1ccc2c(c1)[nH]c(=S)n2CCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione?
The InChIKey is SVSRTTRFSUXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-7-8-15-14(11-12)17-16(19)18(15)10-9-13-5-3-2-4-6-13/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,17,19).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione?
3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione has a molecular weight of 272.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 107850907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).