1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole

C24H24N2O2 — CID 5201852

IUPAC1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
SMILESCc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)27-17-7-16-26-23-11-6-5-10-22(23)25-24(26)18-28-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3
InChIKeyAYVIBHYFWWZFHK-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.39
Rot. Bonds8

About 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole

1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole (PubChem CID 5201852) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
PubChem CID5201852
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
SMILESCc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)27-17-7-16-26-23-11-6-5-10-22(23)25-24(26)18-28-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3
InChIKeyAYVIBHYFWWZFHK-UHFFFAOYSA-N
XLogP5.39
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 75397016
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole (CID 5201852) is 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole is Cc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole?
The InChIKey is AYVIBHYFWWZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)27-17-7-16-26-23-11-6-5-10-22(23)25-24(26)18-28-20-8-3-2-4-9-20/h2-6,8-15H,7,16-18H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole?
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 5201852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).