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

C22H22N2O2 — CID 3160724

IUPAC1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-16(25)22-23-19-11-4-5-12-20(19)24(22)14-7-15-26-21-13-6-9-17-8-2-3-10-18(17)21/h2-6,8-13,16,25H,7,14-15H2,1H3
InChIKeyMSOCFSWYWMAJSM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds6

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

1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol (PubChem CID 3160724) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
PubChem CID3160724
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C22H22N2O2/c1-16(25)22-23-19-11-4-5-12-20(19)24(22)14-7-15-26-21-13-6-9-17-8-2-3-10-18(17)21/h2-6,8-13,16,25H,7,14-15H2,1H3
InChIKeyMSOCFSWYWMAJSM-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

N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol (CID 3160724) is 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol?
The InChIKey is MSOCFSWYWMAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(25)22-23-19-11-4-5-12-20(19)24(22)14-7-15-26-21-13-6-9-17-8-2-3-10-18(17)21/h2-6,8-13,16,25H,7,14-15H2,1H3.
What are the key properties of 1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol?
1-[1-(3-naphthalen-1-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-1-yloxypropyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 3160724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).