methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate

C26H20N2O5S — CID 164941917

IUPACmethyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C26H20N2O5S/c1-32-23-12-5-6-13-24(23)34(30,31)28-22-15-14-18(26(29)33-2)16-21(22)27-25(28)20-11-7-9-17-8-3-4-10-19(17)20/h3-16H,1-2H3
InChIKeyZZBQQCROOROPPP-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.89
Rot. Bonds5

About methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate

methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate (PubChem CID 164941917) has the molecular formula C26H20N2O5S and a molecular weight of 472.52 g/mol. Its IUPAC name is methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
PubChem CID164941917
Molecular FormulaC26H20N2O5S
Molecular Weight472.52 g/mol
Exact Mass472.11
IUPAC Namemethyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C26H20N2O5S/c1-32-23-12-5-6-13-24(23)34(30,31)28-22-15-14-18(26(29)33-2)16-21(22)27-25(28)20-11-7-9-17-8-3-4-10-19(17)20/h3-16H,1-2H3
InChIKeyZZBQQCROOROPPP-UHFFFAOYSA-N
XLogP4.89
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(4-isocyanophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 164941932
methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 155599061
6-methoxycarbonyl-2-naphthalen-1-ylbenzimidazole-1-sulfinate
CID 155598940
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
CID 155598914
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 2-(3-amino-2-chlorophenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carboxylate
CID 71601280
methyl 2-(2-amino-3-pyridinyl)-1-butylbenzimidazole-5-carboxylate
CID 102441051
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
CID 58812066
methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-7-yl]benzimidazole-5-carboxylate
CID 58217413
methyl 1-cyclooctyl-2-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-7-yl]benzimidazole-5-carboxylate
CID 58217346

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate (CID 164941917) is methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1cccc3ccccc13)n2S(=O)(=O)c1ccccc1OC.
What is the InChIKey of methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate?
The InChIKey is ZZBQQCROOROPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5S/c1-32-23-12-5-6-13-24(23)34(30,31)28-22-15-14-18(26(29)33-2)16-21(22)27-25(28)20-11-7-9-17-8-3-4-10-19(17)20/h3-16H,1-2H3.
What are the key properties of methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate?
methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 164941917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).