1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one

C18H14N2O2 — CID 66646808

IUPAC1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
SMILESCc1ccc(C)c(-n2cnc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C18H14N2O2/c1-11-7-8-12(2)14(9-11)20-10-19-16-17(20)13-5-3-4-6-15(13)22-18(16)21/h3-10H,1-2H3
InChIKeyILCRCDOMDDGUDE-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.75
Rot. Bonds1

About 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one

1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one (PubChem CID 66646808) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
PubChem CID66646808
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
SMILESCc1ccc(C)c(-n2cnc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C18H14N2O2/c1-11-7-8-12(2)14(9-11)20-10-19-16-17(20)13-5-3-4-6-15(13)22-18(16)21/h3-10H,1-2H3
InChIKeyILCRCDOMDDGUDE-UHFFFAOYSA-N
XLogP3.75
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one (CID 66646808) is 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one is Cc1ccc(C)c(-n2cnc3c(=O)oc4ccccc4c32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one?
The InChIKey is ILCRCDOMDDGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-7-8-12(2)14(9-11)20-10-19-16-17(20)13-5-3-4-6-15(13)22-18(16)21/h3-10H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one?
1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one has a molecular weight of 290.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 66646808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).