2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide

C14H17N3O3 — CID 146410787

IUPAC2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(c1)n(C)c(=O)n2C(CCC=O)C(N)=O
InChIInChI=1S/C14H17N3O3/c1-9-5-6-10-12(8-9)16(2)14(20)17(10)11(13(15)19)4-3-7-18/h5-8,11H,3-4H2,1-2H3,(H2,15,19)
InChIKeyCBKRUUIQRBBRDB-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.65
Rot. Bonds5

About 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide

2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide (PubChem CID 146410787) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide
PubChem CID146410787
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(c1)n(C)c(=O)n2C(CCC=O)C(N)=O
InChIInChI=1S/C14H17N3O3/c1-9-5-6-10-12(8-9)16(2)14(20)17(10)11(13(15)19)4-3-7-18/h5-8,11H,3-4H2,1-2H3,(H2,15,19)
InChIKeyCBKRUUIQRBBRDB-UHFFFAOYSA-N
XLogP0.65
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide?
The IUPAC name of 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide (CID 146410787) is 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide?
The canonical SMILES for 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide is Cc1ccc2c(c1)n(C)c(=O)n2C(CCC=O)C(N)=O.
What is the InChIKey of 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide?
The InChIKey is CBKRUUIQRBBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-5-6-10-12(8-9)16(2)14(20)17(10)11(13(15)19)4-3-7-18/h5-8,11H,3-4H2,1-2H3,(H2,15,19).
What are the key properties of 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide?
2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide has a molecular weight of 275.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 146410787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).