2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole

C25H26N2O — CID 18879081

IUPAC2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O/c1-20-13-15-22(16-14-20)28-18-8-7-17-27-24-12-6-5-11-23(24)26-25(27)19-21-9-3-2-4-10-21/h2-6,9-16H,7-8,17-19H2,1H3
InChIKeyNSPPOIREUDBRGL-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.79
Rot. Bonds8

About 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole

2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole (PubChem CID 18879081) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
PubChem CID18879081
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H26N2O/c1-20-13-15-22(16-14-20)28-18-8-7-17-27-24-12-6-5-11-23(24)26-25(27)19-21-9-3-2-4-10-21/h2-6,9-16H,7-8,17-19H2,1H3
InChIKeyNSPPOIREUDBRGL-UHFFFAOYSA-N
XLogP5.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995940
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-benzyl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16995610
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987446

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole (CID 18879081) is 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole is Cc1ccc(OCCCCn2c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole?
The InChIKey is NSPPOIREUDBRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-20-13-15-22(16-14-20)28-18-8-7-17-27-24-12-6-5-11-23(24)26-25(27)19-21-9-3-2-4-10-21/h2-6,9-16H,7-8,17-19H2,1H3.
What are the key properties of 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole?
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 18879081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).