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

C28H32N2O2 — CID 18877885

IUPAC1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C28H32N2O2/c1-4-27(32-24-11-9-10-22(3)20-24)28-29-25-12-5-6-13-26(25)30(28)18-7-8-19-31-23-16-14-21(2)15-17-23/h5-6,9-17,20,27H,4,7-8,18-19H2,1-3H3
InChIKeyVQYKNOMOEZAVIC-UHFFFAOYSA-N
MW428.58 g/mol
LogP7.04
Rot. Bonds10

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

1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole (PubChem CID 18877885) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
PubChem CID18877885
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C28H32N2O2/c1-4-27(32-24-11-9-10-22(3)20-24)28-29-25-12-5-6-13-26(25)30(28)18-7-8-19-31-23-16-14-21(2)15-17-23/h5-6,9-17,20,27H,4,7-8,18-19H2,1-3H3
InChIKeyVQYKNOMOEZAVIC-UHFFFAOYSA-N
XLogP7.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.04
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-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
CID 18877935
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039
2-[(1S)-1-(3-methylphenoxy)propyl]-1-prop-2-enylbenzimidazole
CID 51430276
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
N-[(1R)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 7366416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole (CID 18877885) is 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole is CCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCCOc1ccc(C)cc1.
What is the InChIKey of 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole?
The InChIKey is VQYKNOMOEZAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-4-27(32-24-11-9-10-22(3)20-24)28-29-25-12-5-6-13-26(25)30(28)18-7-8-19-31-23-16-14-21(2)15-17-23/h5-6,9-17,20,27H,4,7-8,18-19H2,1-3H3.
What are the key properties of 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole?
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole has a molecular weight of 428.58 g/mol, XLogP of 7.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 18877885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).