N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H15N3O2 — CID 42904821

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC2C=CC1C2
InChIInChI=1S/C15H15N3O2/c19-14(11-6-8-1-2-9(11)5-8)16-10-3-4-12-13(7-10)18-15(20)17-12/h1-4,7-9,11H,5-6H2,(H,16,19)(H2,17,18,20)
InChIKeyDBCZPPMLGSTRBB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.01
Rot. Bonds2

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42904821) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42904821
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC2C=CC1C2
InChIInChI=1S/C15H15N3O2/c19-14(11-6-8-1-2-9(11)5-8)16-10-3-4-12-13(7-10)18-15(20)17-12/h1-4,7-9,11H,5-6H2,(H,16,19)(H2,17,18,20)
InChIKeyDBCZPPMLGSTRBB-UHFFFAOYSA-N
XLogP2.01
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42904821) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC2C=CC1C2.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is DBCZPPMLGSTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14(11-6-8-1-2-9(11)5-8)16-10-3-4-12-13(7-10)18-15(20)17-12/h1-4,7-9,11H,5-6H2,(H,16,19)(H2,17,18,20).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.01, 2 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)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42904821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).