2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C16H15N3O4 — CID 2361470

IUPAC2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC
InChIInChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyMBLOSRHRKRAHSU-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.13
Rot. Bonds4

About 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 2361470) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID2361470
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC
InChIInChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyMBLOSRHRKRAHSU-UHFFFAOYSA-N
XLogP2.13
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 2361470) is 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is COc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is MBLOSRHRKRAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 2361470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).