2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole

C33H34N2O2 — CID 16996364

IUPAC2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccccc1OCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C33H34N2O2/c1-4-11-25-12-5-8-15-32(25)37-21-10-9-20-35-31-14-7-6-13-30(31)34-33(35)24(2)26-16-17-28-23-29(36-3)19-18-27(28)22-26/h4-8,12-19,22-24H,1,9-11,20-21H2,2-3H3
InChIKeyOSOCEQMCMTXLJN-UHFFFAOYSA-N
MW490.65 g/mol
LogP7.94
Rot. Bonds11

About 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole

2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole (PubChem CID 16996364) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
PubChem CID16996364
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccccc1OCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C33H34N2O2/c1-4-11-25-12-5-8-15-32(25)37-21-10-9-20-35-31-14-7-6-13-30(31)34-33(35)24(2)26-16-17-28-23-29(36-3)19-18-27(28)22-26/h4-8,12-19,22-24H,1,9-11,20-21H2,2-3H3
InChIKeyOSOCEQMCMTXLJN-UHFFFAOYSA-N
XLogP7.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
2-(4-methoxyphenyl)-N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972747
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970050
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885072
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
2-[1-(azepan-1-yl)ethyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 18885319

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole (CID 16996364) is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole is C=CCc1ccccc1OCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21.
What is the InChIKey of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
The InChIKey is OSOCEQMCMTXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-4-11-25-12-5-8-15-32(25)37-21-10-9-20-35-31-14-7-6-13-30(31)34-33(35)24(2)26-16-17-28-23-29(36-3)19-18-27(28)22-26/h4-8,12-19,22-24H,1,9-11,20-21H2,2-3H3.
What are the key properties of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole?
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole has a molecular weight of 490.65 g/mol, XLogP of 7.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16996364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).