N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

C28H25N3O2 — CID 17032273

IUPACN-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)c1
InChIInChI=1S/C28H25N3O2/c1-19-14-15-20(2)24(16-19)30-28(32)17-31-25-12-6-5-11-23(25)29-27(31)18-33-26-13-7-9-21-8-3-4-10-22(21)26/h3-16H,17-18H2,1-2H3,(H,30,32)
InChIKeyBGFYTMARDCSNIK-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.02
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 17032273) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID17032273
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)c1
InChIInChI=1S/C28H25N3O2/c1-19-14-15-20(2)24(16-19)30-28(32)17-31-25-12-6-5-11-23(25)29-27(31)18-33-26-13-7-9-21-8-3-4-10-22(21)26/h3-16H,17-18H2,1-2H3,(H,30,32)
InChIKeyBGFYTMARDCSNIK-UHFFFAOYSA-N
XLogP6.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268
N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (CID 17032273) is N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is BGFYTMARDCSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-19-14-15-20(2)24(16-19)30-28(32)17-31-25-12-6-5-11-23(25)29-27(31)18-33-26-13-7-9-21-8-3-4-10-22(21)26/h3-16H,17-18H2,1-2H3,(H,30,32).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).