2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole

C33H34N2O — CID 16987294

IUPAC2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C33H34N2O/c1-25(2)28-19-9-12-22-31(28)36-24-14-13-23-35-30-21-11-10-20-29(30)34-33(35)32(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-12,15-22,25,32H,13-14,23-24H2,1-2H3
InChIKeyQABQHZVKPGTVAY-UHFFFAOYSA-N
MW474.65 g/mol
LogP8.20
Rot. Bonds10

About 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole

2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole (PubChem CID 16987294) has the molecular formula C33H34N2O and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
PubChem CID16987294
Molecular FormulaC33H34N2O
Molecular Weight474.65 g/mol
Exact Mass474.27
IUPAC Name2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCC(C)c1ccccc1OCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C33H34N2O/c1-25(2)28-19-9-12-22-31(28)36-24-14-13-23-35-30-21-11-10-20-29(30)34-33(35)32(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-12,15-22,25,32H,13-14,23-24H2,1-2H3
InChIKeyQABQHZVKPGTVAY-UHFFFAOYSA-N
XLogP8.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 58.20
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

phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165
2-benzyl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16995610
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 19243170
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
4-methoxy-N-[1-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009725
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole (CID 16987294) is 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole is CC(C)c1ccccc1OCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
The InChIKey is QABQHZVKPGTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O/c1-25(2)28-19-9-12-22-31(28)36-24-14-13-23-35-30-21-11-10-20-29(30)34-33(35)32(26-15-5-3-6-16-26)27-17-7-4-8-18-27/h3-12,15-22,25,32H,13-14,23-24H2,1-2H3.
What are the key properties of 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole?
2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole has a molecular weight of 474.65 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16987294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).