N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide

C11H11N3O2 — CID 115175378

IUPACN-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H11N3O2/c1-7(15)11(16)13-8-3-4-10-9(5-8)12-6-14(10)2/h3-6H,1-2H3,(H,13,16)
InChIKeyGAJIJXRTHPEZIY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.10
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide

N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide (PubChem CID 115175378) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
PubChem CID115175378
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H11N3O2/c1-7(15)11(16)13-8-3-4-10-9(5-8)12-6-14(10)2/h3-6H,1-2H3,(H,13,16)
InChIKeyGAJIJXRTHPEZIY-UHFFFAOYSA-N
XLogP1.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115186851
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide (CID 115175378) is N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide?
The InChIKey is GAJIJXRTHPEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7(15)11(16)13-8-3-4-10-9(5-8)12-6-14(10)2/h3-6H,1-2H3,(H,13,16).
What are the key properties of N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide?
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide has a molecular weight of 217.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide is sourced from PubChem (CID 115175378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).