2-benzyl-3H-chromeno[3,4-d]imidazol-4-one

C17H12N2O2 — CID 11208132

IUPAC2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C17H12N2O2/c20-17-16-15(12-8-4-5-9-13(12)21-17)18-14(19-16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyWQOWKUONAIHHLZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.26
Rot. Bonds2

About 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one

2-benzyl-3H-chromeno[3,4-d]imidazol-4-one (PubChem CID 11208132) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
PubChem CID11208132
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-benzyl-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(Cc3ccccc3)[nH]c12
InChIInChI=1S/C17H12N2O2/c20-17-16-15(12-8-4-5-9-13(12)21-17)18-14(19-16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyWQOWKUONAIHHLZ-UHFFFAOYSA-N
XLogP3.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylchromeno[4,3-d]pyrimidin-5-one
CID 86055767
4-bromobutanoic acid;2-(3-bromopropyl)-3H-chromeno[3,4-d]imidazol-4-one;3,4-diaminochromen-2-one
CID 158502414
2-(furan-2-yl)-3H-chromeno[3,4-d]imidazol-4-one
CID 10562741
2-[(Z)-2-hydroxy-2-phenylethenyl]-4H-chromeno[3,4-b]pyrazine-3,5-dione
CID 135408332
8-benzyl-3,7-dihydropurine-2,6-dione
CID 18435695
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135734956
2-[(4-bromophenyl)methyl]chromeno[4,3-d]pyrimidin-5-one
CID 11462739
chromeno[3,4-b]pyrazin-5-one
CID 691239
3-acetyl-4-benzylchromen-2-one
CID 100994271
CID 172712410
CID 172712410
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one (CID 11208132) is 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one is O=c1oc2ccccc2c2nc(Cc3ccccc3)[nH]c12.
What is the InChIKey of 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one?
The InChIKey is WQOWKUONAIHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17-16-15(12-8-4-5-9-13(12)21-17)18-14(19-16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one?
2-benzyl-3H-chromeno[3,4-d]imidazol-4-one has a molecular weight of 276.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 11208132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).