2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol

C11H14N2S — CID 82333350

IUPAC2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
SMILESCc1ccc2c(c1)nc(CCS)n2C
InChIInChI=1S/C11H14N2S/c1-8-3-4-10-9(7-8)12-11(5-6-14)13(10)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyAMNXVEJADIKIQR-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.35
Rot. Bonds2

About 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol

2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol (PubChem CID 82333350) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
PubChem CID82333350
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
SMILESCc1ccc2c(c1)nc(CCS)n2C
InChIInChI=1S/C11H14N2S/c1-8-3-4-10-9(7-8)12-11(5-6-14)13(10)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyAMNXVEJADIKIQR-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
1-methyl-2-propylbenzimidazole-5-sulfonyl chloride
CID 82502066
3-(1,6-dimethylbenzimidazol-2-yl)propanenitrile
CID 166647798
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
CID 54920098
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol?
The IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol (CID 82333350) is 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol is Cc1ccc2c(c1)nc(CCS)n2C.
What is the InChIKey of 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol?
The InChIKey is AMNXVEJADIKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-3-4-10-9(7-8)12-11(5-6-14)13(10)2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol?
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol has a molecular weight of 206.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol is sourced from PubChem (CID 82333350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).