2-oxobenzimidazole-4-carboxamide;propane

C11H13N3O2 — CID 66896601

IUPAC2-oxobenzimidazole-4-carboxamide;propane
SMILESCCC.NC(=O)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C8H5N3O2.C3H8/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5;1-3-2/h1-3H,(H2,9,12);3H2,1-2H3
InChIKeyKSCUGJPBHZPXCK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.57
Rot. Bonds1

About 2-oxobenzimidazole-4-carboxamide;propane

2-oxobenzimidazole-4-carboxamide;propane (PubChem CID 66896601) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-oxobenzimidazole-4-carboxamide;propane.

Molecular Properties

Compound Name2-oxobenzimidazole-4-carboxamide;propane
PubChem CID66896601
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-oxobenzimidazole-4-carboxamide;propane
SMILESCCC.NC(=O)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C8H5N3O2.C3H8/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5;1-3-2/h1-3H,(H2,9,12);3H2,1-2H3
InChIKeyKSCUGJPBHZPXCK-UHFFFAOYSA-N
XLogP0.57
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxobenzimidazole-4-carboxamide;propane?
The IUPAC name of 2-oxobenzimidazole-4-carboxamide;propane (CID 66896601) is 2-oxobenzimidazole-4-carboxamide;propane.
What is the SMILES notation for 2-oxobenzimidazole-4-carboxamide;propane?
The canonical SMILES for 2-oxobenzimidazole-4-carboxamide;propane is CCC.NC(=O)c1cccc2c1=NC(=O)N=2.
What is the InChIKey of 2-oxobenzimidazole-4-carboxamide;propane?
The InChIKey is KSCUGJPBHZPXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2.C3H8/c9-7(12)4-2-1-3-5-6(4)11-8(13)10-5;1-3-2/h1-3H,(H2,9,12);3H2,1-2H3.
What are the key properties of 2-oxobenzimidazole-4-carboxamide;propane?
2-oxobenzimidazole-4-carboxamide;propane has a molecular weight of 219.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobenzimidazole-4-carboxamide;propane is sourced from PubChem (CID 66896601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).