1-ethyl-2-hydroxysulfanylbenzimidazole

C9H10N2OS — CID 143815190

IUPAC1-ethyl-2-hydroxysulfanylbenzimidazole
SMILESCCn1c(SO)nc2ccccc21
InChIInChI=1S/C9H10N2OS/c1-2-11-8-6-4-3-5-7(8)10-9(11)13-12/h3-6,12H,2H2,1H3
InChIKeyYGOGKVGRCTUWNG-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.62
Rot. Bonds2

About 1-ethyl-2-hydroxysulfanylbenzimidazole

1-ethyl-2-hydroxysulfanylbenzimidazole (PubChem CID 143815190) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-ethyl-2-hydroxysulfanylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-hydroxysulfanylbenzimidazole
PubChem CID143815190
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name1-ethyl-2-hydroxysulfanylbenzimidazole
SMILESCCn1c(SO)nc2ccccc21
InChIInChI=1S/C9H10N2OS/c1-2-11-8-6-4-3-5-7(8)10-9(11)13-12/h3-6,12H,2H2,1H3
InChIKeyYGOGKVGRCTUWNG-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 112759939
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxysulfanylbenzimidazole?
The IUPAC name of 1-ethyl-2-hydroxysulfanylbenzimidazole (CID 143815190) is 1-ethyl-2-hydroxysulfanylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-hydroxysulfanylbenzimidazole?
The canonical SMILES for 1-ethyl-2-hydroxysulfanylbenzimidazole is CCn1c(SO)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-hydroxysulfanylbenzimidazole?
The InChIKey is YGOGKVGRCTUWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-11-8-6-4-3-5-7(8)10-9(11)13-12/h3-6,12H,2H2,1H3.
What are the key properties of 1-ethyl-2-hydroxysulfanylbenzimidazole?
1-ethyl-2-hydroxysulfanylbenzimidazole has a molecular weight of 194.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxysulfanylbenzimidazole is sourced from PubChem (CID 143815190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).