2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid

C27H22N2O3 — CID 142221103

IUPAC2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc2c(c1)nc(COc1ccccc1C(=O)O)n2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H22N2O3/c1-18-10-13-24-23(14-18)28-26(17-32-25-9-5-4-8-22(25)27(30)31)29(24)16-19-11-12-20-6-2-3-7-21(20)15-19/h2-15H,16-17H2,1H3,(H,30,31)
InChIKeyOQJOEJQEPVNPJS-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.82
Rot. Bonds6

About 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid

2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 142221103) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
PubChem CID142221103
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc2c(c1)nc(COc1ccccc1C(=O)O)n2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H22N2O3/c1-18-10-13-24-23(14-18)28-26(17-32-25-9-5-4-8-22(25)27(30)31)29(24)16-19-11-12-20-6-2-3-7-21(20)15-19/h2-15H,16-17H2,1H3,(H,30,31)
InChIKeyOQJOEJQEPVNPJS-UHFFFAOYSA-N
XLogP5.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
1-benzyl-2-[(2,4-dimethylphenoxy)methyl]benzimidazole-5-carboxylic acid
CID 46310985
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111
2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007607
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242
5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
CID 134083914
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
CID 142209544
[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78881203

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid (CID 142221103) is 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid is Cc1ccc2c(c1)nc(COc1ccccc1C(=O)O)n2Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is OQJOEJQEPVNPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-18-10-13-24-23(14-18)28-26(17-32-25-9-5-4-8-22(25)27(30)31)29(24)16-19-11-12-20-6-2-3-7-21(20)15-19/h2-15H,16-17H2,1H3,(H,30,31).
What are the key properties of 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid?
2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 422.48 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 142221103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).