2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one

C14H8N2O3 — CID 10562741

IUPAC2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(-c3ccco3)[nH]c12
InChIInChI=1S/C14H8N2O3/c17-14-12-11(8-4-1-2-5-9(8)19-14)15-13(16-12)10-6-3-7-18-10/h1-7H,(H,15,16)
InChIKeyHDSIPSZGKMKRLS-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.93
Rot. Bonds1

About 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one

2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one (PubChem CID 10562741) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
PubChem CID10562741
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(-c3ccco3)[nH]c12
InChIInChI=1S/C14H8N2O3/c17-14-12-11(8-4-1-2-5-9(8)19-14)15-13(16-12)10-6-3-7-18-10/h1-7H,(H,15,16)
InChIKeyHDSIPSZGKMKRLS-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'}

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Related Compounds

2-(furan-2-yl)-3H-pyrano[3,2-e]benzimidazol-7-one
CID 102218797
2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
CID 11208132
2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole
CID 177472594
2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
CID 135408332
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
3-(furan-2-yl)-1,4-benzoxazin-2-one
CID 164680158
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
CID 135511118
chromeno[3,4-b]pyrazin-5-one
CID 691239
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
3-(furan-2-yl)-2-methylchromen-4-one
CID 132531375
2-(furan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135905333
2,10-dioxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16,18,20-octaene-11,15,22-trione
CID 25232688

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one (CID 10562741) is 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one is O=c1oc2ccccc2c2nc(-c3ccco3)[nH]c12.
What is the InChIKey of 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one?
The InChIKey is HDSIPSZGKMKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c17-14-12-11(8-4-1-2-5-9(8)19-14)15-13(16-12)10-6-3-7-18-10/h1-7H,(H,15,16).
What are the key properties of 2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one?
2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-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-chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 10562741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).