methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate

C16H14N2O3 — CID 165172104

IUPACmethyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc3[nH]c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-18-14-9-11(6-7-13(14)17-16(18)20)10-4-3-5-12(8-10)15(19)21-2/h3-9H,1-2H3,(H,17,20)
InChIKeyPJEMSBVFIWUGHU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.32
Rot. Bonds2

About methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate

methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate (PubChem CID 165172104) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
PubChem CID165172104
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc3[nH]c(=O)n(C)c3c2)c1
InChIInChI=1S/C16H14N2O3/c1-18-14-9-11(6-7-13(14)17-16(18)20)10-4-3-5-12(8-10)15(19)21-2/h3-9H,1-2H3,(H,17,20)
InChIKeyPJEMSBVFIWUGHU-UHFFFAOYSA-N
XLogP2.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
methyl 6-bromo-1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 131608298
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate?
The IUPAC name of methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate (CID 165172104) is methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate.
What is the SMILES notation for methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate?
The canonical SMILES for methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate is COC(=O)c1cccc(-c2ccc3[nH]c(=O)n(C)c3c2)c1.
What is the InChIKey of methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate?
The InChIKey is PJEMSBVFIWUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-14-9-11(6-7-13(14)17-16(18)20)10-4-3-5-12(8-10)15(19)21-2/h3-9H,1-2H3,(H,17,20).
What are the key properties of methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate?
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate has a molecular weight of 282.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate is sourced from PubChem (CID 165172104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).