2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

C24H22N2O2 — CID 16998094

IUPAC2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1cccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c1-27-20-12-7-13-21(17-20)28-18-24-25-22-14-5-6-15-23(22)26(24)16-8-11-19-9-3-2-4-10-19/h2-15,17H,16,18H2,1H3/b11-8+
InChIKeyIMWJAADVHVGGGY-DHZHZOJOSA-N
MW370.45 g/mol
LogP5.34
Rot. Bonds7

About 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 16998094) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID16998094
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1cccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c1-27-20-12-7-13-21(17-20)28-18-24-25-22-14-5-6-15-23(22)26(24)16-8-11-19-9-3-2-4-10-19/h2-15,17H,16,18H2,1H3/b11-8+
InChIKeyIMWJAADVHVGGGY-DHZHZOJOSA-N
XLogP5.34
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
3-methoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16983669
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16995564
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998161
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16998160
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 16998094) is 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is COc1cccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is IMWJAADVHVGGGY-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-27-20-12-7-13-21(17-20)28-18-24-25-22-14-5-6-15-23(22)26(24)16-8-11-19-9-3-2-4-10-19/h2-15,17H,16,18H2,1H3/b11-8+.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 370.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 16998094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).