6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one

C20H15F3N2O3 — CID 5322344

IUPAC6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(F)(F)F)oc2cc1O
InChIInChI=1S/C20H15F3N2O3/c1-3-10-8-11-15(9-14(10)26)28-18(20(21,22)23)16(17(11)27)19-24-12-6-4-5-7-13(12)25(19)2/h4-9,26H,3H2,1-2H3
InChIKeyDSAJLEKUBMUVMP-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.63
Rot. Bonds2

About 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one

6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 5322344) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID5322344
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(F)(F)F)oc2cc1O
InChIInChI=1S/C20H15F3N2O3/c1-3-10-8-11-15(9-14(10)26)28-18(20(21,22)23)16(17(11)27)19-24-12-6-4-5-7-13(12)25(19)2/h4-9,26H,3H2,1-2H3
InChIKeyDSAJLEKUBMUVMP-UHFFFAOYSA-N
XLogP4.63
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one (CID 5322344) is 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one is CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(F)(F)F)oc2cc1O.
What is the InChIKey of 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is DSAJLEKUBMUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-3-10-8-11-15(9-14(10)26)28-18(20(21,22)23)16(17(11)27)19-24-12-6-4-5-7-13(12)25(19)2/h4-9,26H,3H2,1-2H3.
What are the key properties of 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one?
6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 388.35 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 5322344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).