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

C16H14N2O3 — CID 151899237

IUPACmethyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-21-15(19)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)17-16(18)20/h2-9H,10H2,1H3,(H,17,20)
InChIKeySSKFTIKRAZIZCH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.16
Rot. Bonds3

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

methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate (PubChem CID 151899237) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
PubChem CID151899237
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-21-15(19)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)17-16(18)20/h2-9H,10H2,1H3,(H,17,20)
InChIKeySSKFTIKRAZIZCH-UHFFFAOYSA-N
XLogP2.16
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
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1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
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methyl 2-(piperazin-1-ylmethyl)benzoate
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3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one
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3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one
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methyl 2-(azepan-1-ylmethyl)benzoate
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N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
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3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
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CID 2685940

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate (CID 151899237) is methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate is COC(=O)c1ccccc1Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate?
The InChIKey is SSKFTIKRAZIZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-15(19)12-7-3-2-6-11(12)10-18-14-9-5-4-8-13(14)17-16(18)20/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate?
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate has a molecular weight of 282.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate is sourced from PubChem (CID 151899237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).