1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C30H36N2O — CID 18879423

IUPAC1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(C(C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C30H36N2O/c1-22(2)21-25-13-15-26(16-14-25)24(4)30-31-28-9-5-6-10-29(28)32(30)19-7-8-20-33-27-17-11-23(3)12-18-27/h5-6,9-18,22,24H,7-8,19-21H2,1-4H3
InChIKeyUIZJCZCZRDRGQB-UHFFFAOYSA-N
MW440.63 g/mol
LogP7.55
Rot. Bonds10

About 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 18879423) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID18879423
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1ccc(OCCCCn2c(C(C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C30H36N2O/c1-22(2)21-25-13-15-26(16-14-25)24(4)30-31-28-9-5-6-10-29(28)32(30)19-7-8-20-33-27-17-11-23(3)12-18-27/h5-6,9-18,22,24H,7-8,19-21H2,1-4H3
InChIKeyUIZJCZCZRDRGQB-UHFFFAOYSA-N
XLogP7.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 57.55
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

1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
1-[4-(3-methoxyphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996279
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 18879423) is 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is Cc1ccc(OCCCCn2c(C(C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is UIZJCZCZRDRGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-22(2)21-25-13-15-26(16-14-25)24(4)30-31-28-9-5-6-10-29(28)32(30)19-7-8-20-33-27-17-11-23(3)12-18-27/h5-6,9-18,22,24H,7-8,19-21H2,1-4H3.
What are the key properties of 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 440.63 g/mol, XLogP of 7.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 18879423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).