2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane

C18H22N2O2 — CID 142063366

IUPAC2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
SMILESCC.OCCOc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2O2.C2H6/c19-8-9-20-14-5-3-4-13(10-14)11-18-12-17-15-6-1-2-7-16(15)18;1-2/h1-7,10,12,19H,8-9,11H2;1-2H3
InChIKeyQYXXGRFXCXDIAG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.48
Rot. Bonds5

About 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane

2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane (PubChem CID 142063366) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
PubChem CID142063366
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
SMILESCC.OCCOc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2O2.C2H6/c19-8-9-20-14-5-3-4-13(10-14)11-18-12-17-15-6-1-2-7-16(15)18;1-2/h1-7,10,12,19H,8-9,11H2;1-2H3
InChIKeyQYXXGRFXCXDIAG-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
CID 90039514
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
3-(benzimidazol-1-ylmethyl)benzenecarbothioamide
CID 24703468
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
3-[3-(benzimidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 76908174
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane?
The IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane (CID 142063366) is 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane.
What is the SMILES notation for 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane?
The canonical SMILES for 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane is CC.OCCOc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane?
The InChIKey is QYXXGRFXCXDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C2H6/c19-8-9-20-14-5-3-4-13(10-14)11-18-12-17-15-6-1-2-7-16(15)18;1-2/h1-7,10,12,19H,8-9,11H2;1-2H3.
What are the key properties of 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane?
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane has a molecular weight of 298.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane is sourced from PubChem (CID 142063366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).