1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one

C13H12N2O2 — CID 648915

IUPAC1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one
SMILESCCn1c(C)nc2c(=O)oc3ccccc3c21
InChIInChI=1S/C13H12N2O2/c1-3-15-8(2)14-11-12(15)9-6-4-5-7-10(9)17-13(11)16/h4-7H,3H2,1-2H3
InChIKeyQTKRNTDRBBWZLG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.47
Rot. Bonds1

About 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one

1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one (PubChem CID 648915) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one
PubChem CID648915
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one
SMILESCCn1c(C)nc2c(=O)oc3ccccc3c21
InChIInChI=1S/C13H12N2O2/c1-3-15-8(2)14-11-12(15)9-6-4-5-7-10(9)17-13(11)16/h4-7H,3H2,1-2H3
InChIKeyQTKRNTDRBBWZLG-UHFFFAOYSA-N
XLogP2.47
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-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

(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-propyl-
CID 55656
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-phenyl-
CID 55662
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclohexyl-
CID 55660
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-cyclopentyl-
CID 55659
1-Ethylchromeno[3,4-d]triazol-4-one
CID 805720
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-
CID 55654
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-ethyl-
CID 55655
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(1-methylethyl)-
CID 55657
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-
CID 55658
(1)Benzopyrano(3,4-d)imidazol-4(1H)-one, 1-(phenylmethyl)-
CID 55661
1-[3-(4-methyl-1-piperazinyl)propyl]chromeno[3,4-d]imidazol-4(1H)-one
CID 740271
2-methyl-1-phenylchromeno[3,4-d]imidazol-4(1H)-one
CID 773647

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one (CID 648915) is 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one is CCn1c(C)nc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one?
The InChIKey is QTKRNTDRBBWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-3-15-8(2)14-11-12(15)9-6-4-5-7-10(9)17-13(11)16/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one?
1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylchromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 648915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).