[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

C23H19N3O4 — CID 23859790

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C23H19N3O4/c1-29-18-9-5-8-17(13-18)24-21(27)14-30-23(28)16-10-11-19-20(12-16)26-22(25-19)15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBGFATQOSQSPQMW-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.03
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (PubChem CID 23859790) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
PubChem CID23859790
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C23H19N3O4/c1-29-18-9-5-8-17(13-18)24-21(27)14-30-23(28)16-10-11-19-20(12-16)26-22(25-19)15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBGFATQOSQSPQMW-UHFFFAOYSA-N
XLogP4.03
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802651
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915586
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23915587
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23859782
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802588
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 25049245
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 25043323
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23831665

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (CID 23859790) is [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is COc1cccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The InChIKey is BGFATQOSQSPQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-18-9-5-8-17(13-18)24-21(27)14-30-23(28)16-10-11-19-20(12-16)26-22(25-19)15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 23859790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).