1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol

C22H22N2O2 — CID 18879025

IUPAC1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-16(25)22-23-20-9-4-5-10-21(20)24(22)13-6-14-26-19-12-11-17-7-2-3-8-18(17)15-19/h2-5,7-12,15-16,25H,6,13-14H2,1H3
InChIKeyATBUORYSCCMVFT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds6

About 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol

1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol (PubChem CID 18879025) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
PubChem CID18879025
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c1-16(25)22-23-20-9-4-5-10-21(20)24(22)13-6-14-26-19-12-11-17-7-2-3-8-18(17)15-19/h2-5,7-12,15-16,25H,6,13-14H2,1H3
InChIKeyATBUORYSCCMVFT-UHFFFAOYSA-N
XLogP4.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
4-bromo-N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009403
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol (CID 18879025) is 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1.
What is the InChIKey of 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol?
The InChIKey is ATBUORYSCCMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(25)22-23-20-9-4-5-10-21(20)24(22)13-6-14-26-19-12-11-17-7-2-3-8-18(17)15-19/h2-5,7-12,15-16,25H,6,13-14H2,1H3.
What are the key properties of 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol?
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol has a molecular weight of 346.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 18879025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).