1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole

C22H20N2O2 — CID 71620987

IUPAC1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
SMILESCOc1cccc(Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H20N2O2/c1-25-19-11-7-8-17(14-19)15-24-21-13-6-5-12-20(21)23-22(24)16-26-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3
InChIKeyIHSQQWQHPUVIMN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.67
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole

1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole (PubChem CID 71620987) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
PubChem CID71620987
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
SMILESCOc1cccc(Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C22H20N2O2/c1-25-19-11-7-8-17(14-19)15-24-21-13-6-5-12-20(21)23-22(24)16-26-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3
InChIKeyIHSQQWQHPUVIMN-UHFFFAOYSA-N
XLogP4.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
CID 54757246
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole (CID 71620987) is 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole is COc1cccc(Cn2c(COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole?
The InChIKey is IHSQQWQHPUVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-11-7-8-17(14-19)15-24-21-13-6-5-12-20(21)23-22(24)16-26-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole?
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 71620987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).