1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

C29H26N2O2 — CID 18878122

IUPAC1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C29H26N2O2/c1-2-10-23-12-4-8-17-27(23)33-21-29-30-25-15-6-7-16-26(25)31(29)19-20-32-28-18-9-13-22-11-3-5-14-24(22)28/h2-9,11-18H,1,10,19-21H2
InChIKeyULWUECWVMBLAAP-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.58
Rot. Bonds9

About 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (PubChem CID 18878122) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
PubChem CID18878122
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C29H26N2O2/c1-2-10-23-12-4-8-17-27(23)33-21-29-30-25-15-6-7-16-26(25)31(29)19-20-32-28-18-9-13-22-11-3-5-14-24(22)28/h2-9,11-18H,1,10,19-21H2
InChIKeyULWUECWVMBLAAP-UHFFFAOYSA-N
XLogP6.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (CID 18878122) is 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The InChIKey is ULWUECWVMBLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-2-10-23-12-4-8-17-27(23)33-21-29-30-25-15-6-7-16-26(25)31(29)19-20-32-28-18-9-13-22-11-3-5-14-24(22)28/h2-9,11-18H,1,10,19-21H2.
What are the key properties of 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole has a molecular weight of 434.54 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).