2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride

C15H22ClN3O2S — CID 11725026

IUPAC2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride
SMILESCCOc1ccc2nc(SCCC3CNCCO3)[nH]c2c1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-2-19-11-3-4-13-14(9-11)18-15(17-13)21-8-5-12-10-16-6-7-20-12;/h3-4,9,12,16H,2,5-8,10H2,1H3,(H,17,18);1H
InChIKeyYODLWNBUXDWOKY-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride

2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride (PubChem CID 11725026) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride
PubChem CID11725026
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride
SMILESCCOc1ccc2nc(SCCC3CNCCO3)[nH]c2c1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-2-19-11-3-4-13-14(9-11)18-15(17-13)21-8-5-12-10-16-6-7-20-12;/h3-4,9,12,16H,2,5-8,10H2,1H3,(H,17,18);1H
InChIKeyYODLWNBUXDWOKY-UHFFFAOYSA-N
XLogP2.85
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;dihydrochloride
CID 11349505
4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-2-methylmorpholin-3-one
CID 142757012
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
CID 64820862
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 61385799
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylbutan-2-amine
CID 64621940
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride?
The IUPAC name of 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride (CID 11725026) is 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride?
The canonical SMILES for 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride is CCOc1ccc2nc(SCCC3CNCCO3)[nH]c2c1.Cl.
What is the InChIKey of 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride?
The InChIKey is YODLWNBUXDWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-2-19-11-3-4-13-14(9-11)18-15(17-13)21-8-5-12-10-16-6-7-20-12;/h3-4,9,12,16H,2,5-8,10H2,1H3,(H,17,18);1H.
What are the key properties of 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride?
2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 11725026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).