2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole

C22H19ClN2O — CID 1260808

IUPAC2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyHEIGOAMDDXABRI-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.51
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole

2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole (PubChem CID 1260808) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole
PubChem CID1260808
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyHEIGOAMDDXABRI-UHFFFAOYSA-N
XLogP5.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole (CID 1260808) is 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole is Clc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole?
The InChIKey is HEIGOAMDDXABRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-18-10-12-19(13-11-18)26-16-22-24-20-8-4-5-9-21(20)25(22)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole has a molecular weight of 362.86 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 1260808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).