2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol

C10H13N3S — CID 21226750

IUPAC2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
SMILESCn1c(NCCS)nc2ccccc21
InChIInChI=1S/C10H13N3S/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyMQSZWVKGBNTNNM-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.91
Rot. Bonds3

About 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol

2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol (PubChem CID 21226750) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
PubChem CID21226750
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
SMILESCn1c(NCCS)nc2ccccc21
InChIInChI=1S/C10H13N3S/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyMQSZWVKGBNTNNM-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
CID 103868131
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylbenzimidazol-2-amine
CID 115455796
N-[(1-cyclopropylcyclopropyl)methyl]-1-methylbenzimidazol-2-amine
CID 103868357
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
CID 103868375
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol (CID 21226750) is 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol is Cn1c(NCCS)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol?
The InChIKey is MQSZWVKGBNTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol?
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol has a molecular weight of 207.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol is sourced from PubChem (CID 21226750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).