2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C11H13N3O2 — CID 2995611

IUPAC2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-6(2)10(15)12-7-3-4-8-9(5-7)14-11(16)13-8/h3-6H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyBYYOVFUCIHOVHD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 2995611) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID2995611
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-6(2)10(15)12-7-3-4-8-9(5-7)14-11(16)13-8/h3-6H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyBYYOVFUCIHOVHD-UHFFFAOYSA-N
XLogP1.45
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 2995611) is 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is BYYOVFUCIHOVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)10(15)12-7-3-4-8-9(5-7)14-11(16)13-8/h3-6H,1-2H3,(H,12,15)(H2,13,14,16).
What are the key properties of 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 2995611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).