1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol

C15H22N2O3S — CID 60670681

IUPAC1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1ccc2nc(SCC(O)COC(C)C)[nH]c2c1
InChIInChI=1S/C15H22N2O3S/c1-4-19-12-5-6-13-14(7-12)17-15(16-13)21-9-11(18)8-20-10(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyUWLKCZPEHUNZFO-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.84
Rot. Bonds8

About 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol

1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol (PubChem CID 60670681) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
PubChem CID60670681
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1ccc2nc(SCC(O)COC(C)C)[nH]c2c1
InChIInChI=1S/C15H22N2O3S/c1-4-19-12-5-6-13-14(7-12)17-15(16-13)21-9-11(18)8-20-10(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyUWLKCZPEHUNZFO-UHFFFAOYSA-N
XLogP2.84
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanoate
CID 43400753
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanimidamide
CID 43369001
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
1-[(3,4-dimethoxyphenyl)methoxy]-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol
CID 24687104
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(ethylamino)propan-1-ol
CID 64820422
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64821086
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylbutan-2-amine
CID 64621940
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol (CID 60670681) is 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol is CCOc1ccc2nc(SCC(O)COC(C)C)[nH]c2c1.
What is the InChIKey of 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is UWLKCZPEHUNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-19-12-5-6-13-14(7-12)17-15(16-13)21-9-11(18)8-20-10(2)3/h5-7,10-11,18H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol?
1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 310.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60670681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).