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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Related Compounds

compound 1 (PMID: 25408830)
CID 1091852
7-((dimethylamino)methyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45268640
1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carbaldehyde
CID 605450
Pyrrolidine-1,2-dicarboxylic acid 2-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 644827
1-N-(3-methylphenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 3230199
2-oxo-N-phenyl-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 3232144
1-N-cyclohexyl-2-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221254
1-N-cyclohexyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221253
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 941856
Pyrrolidine-1,2-dicarboxylic acid 2-cyclohexylmethyl-amide 1-p-tolylamide
CID 3221241
Pyrrolidine-1,2-dicarboxylic acid 2-benzylamide 1-m-tolylamide
CID 3230192
N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 3232145

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).