2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole

C29H28N2O — CID 5088782

IUPAC2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2cccc3ccccc23)c1
InChIInChI=1S/C29H28N2O/c1-20(2)24-16-15-21(3)17-28(24)32-19-29-30-26-13-6-7-14-27(26)31(29)18-23-11-8-10-22-9-4-5-12-25(22)23/h4-17,20H,18-19H2,1-3H3
InChIKeyAZHXCRJYJSYATF-UHFFFAOYSA-N
MW420.56 g/mol
LogP7.25
Rot. Bonds6

About 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 5088782) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID5088782
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2cccc3ccccc23)c1
InChIInChI=1S/C29H28N2O/c1-20(2)24-16-15-21(3)17-28(24)32-19-29-30-26-13-6-7-14-27(26)31(29)18-23-11-8-10-22-9-4-5-12-25(22)23/h4-17,20H,18-19H2,1-3H3
InChIKeyAZHXCRJYJSYATF-UHFFFAOYSA-N
XLogP7.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
1-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 3347731
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997646
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879369
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655
1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
1-[3-(3,4-dimethylphenoxy)propyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997636
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole (CID 5088782) is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole is Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2cccc3ccccc23)c1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is AZHXCRJYJSYATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-20(2)24-16-15-21(3)17-28(24)32-19-29-30-26-13-6-7-14-27(26)31(29)18-23-11-8-10-22-9-4-5-12-25(22)23/h4-17,20H,18-19H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole?
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 420.56 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 5088782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).