(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol

C18H20N2O2 — CID 962325

IUPAC(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCc1ccccc1OCCn1c([C@H](C)O)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-13-7-3-6-10-17(13)22-12-11-20-16-9-5-4-8-15(16)19-18(20)14(2)21/h3-10,14,21H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCMXNSIFGFDYLNX-AWEZNQCLSA-N
MW296.37 g/mol
LogP3.48
Rot. Bonds5

About (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol

(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 962325) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
PubChem CID962325
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCc1ccccc1OCCn1c([C@H](C)O)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-13-7-3-6-10-17(13)22-12-11-20-16-9-5-4-8-15(16)19-18(20)14(2)21/h3-10,14,21H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCMXNSIFGFDYLNX-AWEZNQCLSA-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 ≤ 500296.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
(1R)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735926
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-[4-(2-methylphenoxy)butyl]-2-pentan-3-ylbenzimidazole
CID 18879067
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol (CID 962325) is (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol is Cc1ccccc1OCCn1c([C@H](C)O)nc2ccccc21.
What is the InChIKey of (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is CMXNSIFGFDYLNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-3-6-10-17(13)22-12-11-20-16-9-5-4-8-15(16)19-18(20)14(2)21/h3-10,14,21H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 296.37 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 (1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 962325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).