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

C11H13N3O2 — CID 590786

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)12-7-4-5-8-9(6-7)14-11(16)13-8/h4-6H,2-3H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyNDNBJQKWRCYCID-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.59
Rot. Bonds3

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

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 590786) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID590786
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)12-7-4-5-8-9(6-7)14-11(16)13-8/h4-6H,2-3H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyNDNBJQKWRCYCID-UHFFFAOYSA-N
XLogP1.59
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 590786) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is CCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is NDNBJQKWRCYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-10(15)12-7-4-5-8-9(6-7)14-11(16)13-8/h4-6H,2-3H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 219.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 590786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).