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

C22H19ClN2O — CID 1325610

IUPAC1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O/c1-16-10-12-18(13-11-16)26-15-22-24-20-8-4-5-9-21(20)25(22)14-17-6-2-3-7-19(17)23/h2-13H,14-15H2,1H3
InChIKeyFBJZAQSBDQXGRL-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.63
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole (PubChem CID 1325610) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
PubChem CID1325610
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O/c1-16-10-12-18(13-11-16)26-15-22-24-20-8-4-5-9-21(20)25(22)14-17-6-2-3-7-19(17)23/h2-13H,14-15H2,1H3
InChIKeyFBJZAQSBDQXGRL-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-1,3-benzodiazole
CID 5329412
5-tert-butyl-2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11212855
2-{2-Chloro-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-4,5-dimethyl-1H-benzoimidazole
CID 11258458
2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-4,6-dimethyl-1H-1,3-benzodiazole
CID 11258459
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
1-Benzyl-2-(4-{[(2r)-2-(2-Phenyl-1h-Benzimidazol-1-Yl)pent-4-En-1-Yl]oxy}phenyl)-1h-Benzimidazole
CID 73292574
2-[(2-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
CID 706275

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole (CID 1325610) is 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole is Cc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The InChIKey is FBJZAQSBDQXGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-16-10-12-18(13-11-16)26-15-22-24-20-8-4-5-9-21(20)25(22)14-17-6-2-3-7-19(17)23/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole has a molecular weight of 362.86 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 1325610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).