1,2-dimethylchromeno[3,4-d]imidazol-4-one

C12H10N2O2 — CID 773639

IUPAC1,2-dimethylchromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)oc3ccccc3c2n1C
InChIInChI=1S/C12H10N2O2/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3
InChIKeyUWWXJFBGUOWUKM-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.99
Rot. Bonds

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

1,2-dimethylchromeno[3,4-d]imidazol-4-one (PubChem CID 773639) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,2-dimethylchromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1,2-dimethylchromeno[3,4-d]imidazol-4-one
PubChem CID773639
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1,2-dimethylchromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)oc3ccccc3c2n1C
InChIInChI=1S/C12H10N2O2/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3
InChIKeyUWWXJFBGUOWUKM-UHFFFAOYSA-N
XLogP1.99
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
CID 10059064
(2-bromo-4-oxochromeno[3,4-d]imidazol-1-yl) thiohypofluorite;ethane
CID 145101536
chromeno[3,4-b]pyrazin-5-one
CID 691239
1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
CID 66646808
1-[2-(dimethylamino)ethyl]chromeno[3,4-d]imidazol-4-one
CID 740267
1-[3-(diethylamino)propyl]chromeno[3,4-d]imidazol-4-one
CID 845300
1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
CID 164681987
1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
CID 22434306
13-methyl-15-phenyl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 164668894
4-hydroxy-3-methylchromen-2-one
CID 54687016
1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
14,16-dimethyl-11-phenyl-8-oxa-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17)-hexaene-9,13,15-trione
CID 146036446

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylchromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1,2-dimethylchromeno[3,4-d]imidazol-4-one (CID 773639) is 1,2-dimethylchromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1,2-dimethylchromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1,2-dimethylchromeno[3,4-d]imidazol-4-one is Cc1nc2c(=O)oc3ccccc3c2n1C.
What is the InChIKey of 1,2-dimethylchromeno[3,4-d]imidazol-4-one?
The InChIKey is UWWXJFBGUOWUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3.
What are the key properties of 1,2-dimethylchromeno[3,4-d]imidazol-4-one?
1,2-dimethylchromeno[3,4-d]imidazol-4-one has a molecular weight of 214.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylchromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 773639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).