2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one

C14H8N2O3 — CID 102218797

IUPAC2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one
SMILESO=c1ccc2c(ccc3[nH]c(-c4ccco4)nc32)o1
InChIInChI=1S/C14H8N2O3/c17-12-6-3-8-10(19-12)5-4-9-13(8)16-14(15-9)11-2-1-7-18-11/h1-7H,(H,15,16)
InChIKeyCGERLYFGSXVVJR-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.93
Rot. Bonds1

About 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one

2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one (PubChem CID 102218797) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one
PubChem CID102218797
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one
SMILESO=c1ccc2c(ccc3[nH]c(-c4ccco4)nc32)o1
InChIInChI=1S/C14H8N2O3/c17-12-6-3-8-10(19-12)5-4-9-13(8)16-14(15-9)11-2-1-7-18-11/h1-7H,(H,15,16)
InChIKeyCGERLYFGSXVVJR-UHFFFAOYSA-N
XLogP2.93
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
CID 10562741
2-(furan-2-yl)-3H-imidazo[4,5-f]quinoxaline
CID 13428669
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
2-(furan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136731
1,4-dihydropyrano[3,2-f]quinoxaline-2,3,8-trione
CID 131853462
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
CID 135511118
acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
CID 163330799
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-(furan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941277

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one?
The IUPAC name of 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one (CID 102218797) is 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one.
What is the SMILES notation for 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one?
The canonical SMILES for 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one is O=c1ccc2c(ccc3[nH]c(-c4ccco4)nc32)o1.
What is the InChIKey of 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one?
The InChIKey is CGERLYFGSXVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c17-12-6-3-8-10(19-12)5-4-9-13(8)16-14(15-9)11-2-1-7-18-11/h1-7H,(H,15,16).
What are the key properties of 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one?
2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one has a molecular weight of 252.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one is sourced from PubChem (CID 102218797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).