8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one

C11H7FN2O2 — CID 121429859

IUPAC8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c([nH]1)c(=O)oc1ccc(F)cc12
InChIInChI=1S/C11H7FN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-11(15)10(9)14-5/h2-4H,1H3,(H,13,14)
InChIKeyWXEVUQFUAMFIRI-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.12
Rot. Bonds

About 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one

8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one (PubChem CID 121429859) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one
PubChem CID121429859
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c([nH]1)c(=O)oc1ccc(F)cc12
InChIInChI=1S/C11H7FN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-11(15)10(9)14-5/h2-4H,1H3,(H,13,14)
InChIKeyWXEVUQFUAMFIRI-UHFFFAOYSA-N
XLogP2.12
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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)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-Ethyl-2-methyl-1H-chromeno[3,4-d]imidazol-4-one
CID 648915
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 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one (CID 121429859) is 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one is Cc1nc2c([nH]1)c(=O)oc1ccc(F)cc12.
What is the InChIKey of 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one?
The InChIKey is WXEVUQFUAMFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c1-5-13-9-7-4-6(12)2-3-8(7)16-11(15)10(9)14-5/h2-4H,1H3,(H,13,14).
What are the key properties of 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one?
8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one has a molecular weight of 218.19 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-3H-chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 121429859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).