1-benzyl-2-(phenoxymethyl)benzimidazole

C21H18N2O — CID 712249

IUPAC1-benzyl-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)22-21(23)16-24-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyMVNLXJNSWDXOJV-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.66
Rot. Bonds5

About 1-benzyl-2-(phenoxymethyl)benzimidazole

1-benzyl-2-(phenoxymethyl)benzimidazole (PubChem CID 712249) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(phenoxymethyl)benzimidazole
PubChem CID712249
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)22-21(23)16-24-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyMVNLXJNSWDXOJV-UHFFFAOYSA-N
XLogP4.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 166320009
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(phenoxymethyl)benzimidazole (CID 712249) is 1-benzyl-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(phenoxymethyl)benzimidazole is c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-(phenoxymethyl)benzimidazole?
The InChIKey is MVNLXJNSWDXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)22-21(23)16-24-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1-benzyl-2-(phenoxymethyl)benzimidazole?
1-benzyl-2-(phenoxymethyl)benzimidazole has a molecular weight of 314.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 712249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).