methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate

C17H16N2O3 — CID 67578649

IUPACmethyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cccc2[nH]c(=O)n(-c3ccccc3)c12
InChIInChI=1S/C17H16N2O3/c1-22-15(20)11-10-12-6-5-9-14-16(12)19(17(21)18-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyDPOQKHHVIGBPJD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.42
Rot. Bonds4

About methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate

methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate (PubChem CID 67578649) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate
PubChem CID67578649
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cccc2[nH]c(=O)n(-c3ccccc3)c12
InChIInChI=1S/C17H16N2O3/c1-22-15(20)11-10-12-6-5-9-14-16(12)19(17(21)18-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyDPOQKHHVIGBPJD-UHFFFAOYSA-N
XLogP2.42
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate (CID 67578649) is methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate is COC(=O)CCc1cccc2[nH]c(=O)n(-c3ccccc3)c12.
What is the InChIKey of methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate?
The InChIKey is DPOQKHHVIGBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15(20)11-10-12-6-5-9-14-16(12)19(17(21)18-14)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate?
methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate has a molecular weight of 296.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-3-phenyl-1H-benzimidazol-4-yl)propanoate is sourced from PubChem (CID 67578649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).