1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol

C19H22N2O2 — CID 16995352

IUPAC1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCCc1ccc(OCCn2c(C(C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-3-15-8-10-16(11-9-15)23-13-12-21-18-7-5-4-6-17(18)20-19(21)14(2)22/h4-11,14,22H,3,12-13H2,1-2H3
InChIKeyLDMYPAULOTYCGQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.73
Rot. Bonds6

About 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol

1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 16995352) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
PubChem CID16995352
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCCc1ccc(OCCn2c(C(C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-3-15-8-10-16(11-9-15)23-13-12-21-18-7-5-4-6-17(18)20-19(21)14(2)22/h4-11,14,22H,3,12-13H2,1-2H3
InChIKeyLDMYPAULOTYCGQ-UHFFFAOYSA-N
XLogP3.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009369

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol (CID 16995352) is 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol is CCc1ccc(OCCn2c(C(C)O)nc3ccccc32)cc1.
What is the InChIKey of 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is LDMYPAULOTYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-15-8-10-16(11-9-15)23-13-12-21-18-7-5-4-6-17(18)20-19(21)14(2)22/h4-11,14,22H,3,12-13H2,1-2H3.
What are the key properties of 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol?
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 310.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 16995352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).