2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride

C9H12ClN3S — CID 86262361

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3S.ClH/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6,10H2,(H,11,12);1H
InChIKeyWITGVYAPGYTUFV-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.04
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride

2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride (PubChem CID 86262361) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
PubChem CID86262361
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3S.ClH/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6,10H2,(H,11,12);1H
InChIKeyWITGVYAPGYTUFV-UHFFFAOYSA-N
XLogP2.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine
CID 22675414
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
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8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
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CID 54609164
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
CID 106713292
4-(1H-benzimidazol-2-ylsulfanyl)-2-methylbutan-2-ol
CID 79175690
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
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CID 20685286

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride (CID 86262361) is 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride is Cl.NCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride?
The InChIKey is WITGVYAPGYTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S.ClH/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6,10H2,(H,11,12);1H.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride?
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride has a molecular weight of 229.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride is sourced from PubChem (CID 86262361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).