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

C28H24N2O — CID 18878101

IUPAC1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C28H24N2O/c1-2-10-22-12-4-8-18-27(22)31-20-28-29-25-16-6-7-17-26(25)30(28)19-23-14-9-13-21-11-3-5-15-24(21)23/h2-9,11-18H,1,10,19-20H2
InChIKeyAMATWYKZFOHXCT-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.55
Rot. Bonds7

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

1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (PubChem CID 18878101) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
PubChem CID18878101
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C28H24N2O/c1-2-10-22-12-4-8-18-27(22)31-20-28-29-25-16-6-7-17-26(25)30(28)19-23-14-9-13-21-11-3-5-15-24(21)23/h2-9,11-18H,1,10,19-20H2
InChIKeyAMATWYKZFOHXCT-UHFFFAOYSA-N
XLogP6.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole
CID 5088782
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (CID 18878101) is 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is C=CCc1ccccc1OCc1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The InChIKey is AMATWYKZFOHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-2-10-22-12-4-8-18-27(22)31-20-28-29-25-16-6-7-17-26(25)30(28)19-23-14-9-13-21-11-3-5-15-24(21)23/h2-9,11-18H,1,10,19-20H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole has a molecular weight of 404.51 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).