2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol

C11H15N3OS — CID 84617398

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
SMILESCN(C)CCSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C11H15N3OS/c1-14(2)5-6-16-11-12-9-4-3-8(15)7-10(9)13-11/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyCNYQMUXQCJKAPQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol

2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol (PubChem CID 84617398) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
PubChem CID84617398
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
SMILESCN(C)CCSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C11H15N3OS/c1-14(2)5-6-16-11-12-9-4-3-8(15)7-10(9)13-11/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyCNYQMUXQCJKAPQ-UHFFFAOYSA-N
XLogP1.92
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418
2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
CID 84617405
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
CID 70810022
2-[2-(diethylamino)ethylsulfanyl]-3H-benzimidazol-5-amine
CID 61358076
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617391
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62583196
2-[[2-[4-[6-[2-(dimethylamino)ethylsulfanyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]sulfanyl]-N,N-dimethylethanamine
CID 138649320
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol (CID 84617398) is 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol is CN(C)CCSc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol?
The InChIKey is CNYQMUXQCJKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(2)5-6-16-11-12-9-4-3-8(15)7-10(9)13-11/h3-4,7,15H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol?
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol has a molecular weight of 237.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 84617398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).