N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide

C17H17N3O3 — CID 126799132

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)c1occ2c1CCC2
InChIInChI=1S/C17H17N3O3/c21-16(15-12-5-3-4-11(12)10-23-15)18-8-9-20-14-7-2-1-6-13(14)19-17(20)22/h1-2,6-7,10H,3-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyVIMOLMKTZRIEPY-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide (PubChem CID 126799132) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
PubChem CID126799132
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)c1occ2c1CCC2
InChIInChI=1S/C17H17N3O3/c21-16(15-12-5-3-4-11(12)10-23-15)18-8-9-20-14-7-2-1-6-13(14)19-17(20)22/h1-2,6-7,10H,3-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyVIMOLMKTZRIEPY-UHFFFAOYSA-N
XLogP1.84
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-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-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide (CID 126799132) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide is O=C(NCCn1c(=O)[nH]c2ccccc21)c1occ2c1CCC2.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide?
The InChIKey is VIMOLMKTZRIEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-16(15-12-5-3-4-11(12)10-23-15)18-8-9-20-14-7-2-1-6-13(14)19-17(20)22/h1-2,6-7,10H,3-5,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide is sourced from PubChem (CID 126799132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).