2-(2-oxobenzimidazol-5-yl)heptanamide

C14H17N3O2 — CID 175851863

IUPAC2-(2-oxobenzimidazol-5-yl)heptanamide
SMILESCCCCCC(C(N)=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C14H17N3O2/c1-2-3-4-5-10(13(15)18)9-6-7-11-12(8-9)17-14(19)16-11/h6-8,10H,2-5H2,1H3,(H2,15,18)
InChIKeyOWPHECFIHZNCBI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.21
Rot. Bonds6

About 2-(2-oxobenzimidazol-5-yl)heptanamide

2-(2-oxobenzimidazol-5-yl)heptanamide (PubChem CID 175851863) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-oxobenzimidazol-5-yl)heptanamide.

Molecular Properties

Compound Name2-(2-oxobenzimidazol-5-yl)heptanamide
PubChem CID175851863
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-oxobenzimidazol-5-yl)heptanamide
SMILESCCCCCC(C(N)=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C14H17N3O2/c1-2-3-4-5-10(13(15)18)9-6-7-11-12(8-9)17-14(19)16-11/h6-8,10H,2-5H2,1H3,(H2,15,18)
InChIKeyOWPHECFIHZNCBI-UHFFFAOYSA-N
XLogP1.21
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzimidazol-5-yl)heptanamide?
The IUPAC name of 2-(2-oxobenzimidazol-5-yl)heptanamide (CID 175851863) is 2-(2-oxobenzimidazol-5-yl)heptanamide.
What is the SMILES notation for 2-(2-oxobenzimidazol-5-yl)heptanamide?
The canonical SMILES for 2-(2-oxobenzimidazol-5-yl)heptanamide is CCCCCC(C(N)=O)c1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 2-(2-oxobenzimidazol-5-yl)heptanamide?
The InChIKey is OWPHECFIHZNCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-4-5-10(13(15)18)9-6-7-11-12(8-9)17-14(19)16-11/h6-8,10H,2-5H2,1H3,(H2,15,18).
What are the key properties of 2-(2-oxobenzimidazol-5-yl)heptanamide?
2-(2-oxobenzimidazol-5-yl)heptanamide has a molecular weight of 259.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzimidazol-5-yl)heptanamide is sourced from PubChem (CID 175851863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).