1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole

C27H24N2O — CID 5053328

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1ccc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C27H24N2O/c1-19-11-12-20(2)23(15-19)17-29-26-10-6-5-9-25(26)28-27(29)18-30-24-14-13-21-7-3-4-8-22(21)16-24/h3-16H,17-18H2,1-2H3
InChIKeyUOWTZLAOTSFSMZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.43
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole

1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 5053328) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID5053328
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1ccc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1
InChIInChI=1S/C27H24N2O/c1-19-11-12-20(2)23(15-19)17-29-26-10-6-5-9-25(26)28-27(29)18-30-24-14-13-21-7-3-4-8-22(21)16-24/h3-16H,17-18H2,1-2H3
InChIKeyUOWTZLAOTSFSMZ-UHFFFAOYSA-N
XLogP6.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 5053328) is 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is Cc1ccc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is UOWTZLAOTSFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-19-11-12-20(2)23(15-19)17-29-26-10-6-5-9-25(26)28-27(29)18-30-24-14-13-21-7-3-4-8-22(21)16-24/h3-16H,17-18H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 392.50 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 5053328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).