1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole

C22H19ClN2O2 — CID 1332313

IUPAC1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
SMILESCOc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-26-17-10-12-18(13-11-17)27-15-22-24-20-8-4-5-9-21(20)25(22)14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3
InChIKeyVJEABSQWDOARMA-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.33
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole

1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole (PubChem CID 1332313) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
PubChem CID1332313
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
SMILESCOc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O2/c1-26-17-10-12-18(13-11-17)27-15-22-24-20-8-4-5-9-21(20)25(22)14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3
InChIKeyVJEABSQWDOARMA-UHFFFAOYSA-N
XLogP5.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole (CID 1332313) is 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole is COc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
The InChIKey is VJEABSQWDOARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-26-17-10-12-18(13-11-17)27-15-22-24-20-8-4-5-9-21(20)25(22)14-16-6-2-3-7-19(16)23/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole?
1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole has a molecular weight of 378.86 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole is sourced from PubChem (CID 1332313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).