1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole

C26H28N2O — CID 16997714

IUPAC1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-19-9-5-8-12-24(19)29-18-25-27-22-10-6-7-11-23(22)28(25)17-20-13-15-21(16-14-20)26(2,3)4/h5-16H,17-18H2,1-4H3
InChIKeyOMURPONXDUHFEF-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.27
Rot. Bonds5

About 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole

1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 16997714) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID16997714
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-19-9-5-8-12-24(19)29-18-25-27-22-10-6-7-11-23(22)28(25)17-20-13-15-21(16-14-20)26(2,3)4/h5-16H,17-18H2,1-4H3
InChIKeyOMURPONXDUHFEF-UHFFFAOYSA-N
XLogP6.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
CID 16997818
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole (CID 16997714) is 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole is Cc1ccccc1OCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is OMURPONXDUHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19-9-5-8-12-24(19)29-18-25-27-22-10-6-7-11-23(22)28(25)17-20-13-15-21(16-14-20)26(2,3)4/h5-16H,17-18H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).