carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole

C19H23F3N2O3 — CID 161311196

IUPACcarbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole
SMILESCCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC)c(C)n1.O=C=O
InChIInChI=1S/C18H23F3N2O.CO2/c1-6-14-11-23(12(2)22-14)15-8-7-13(9-16(15)24-5)10-17(3,4)18(19,20)21;2-1-3/h7-9,11H,6,10H2,1-5H3;
InChIKeyVIXHWODHJIBNRV-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.30
Rot. Bonds5

About carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole

carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole (PubChem CID 161311196) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole.

Molecular Properties

Compound Namecarbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole
PubChem CID161311196
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Namecarbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole
SMILESCCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC)c(C)n1.O=C=O
InChIInChI=1S/C18H23F3N2O.CO2/c1-6-14-11-23(12(2)22-14)15-8-7-13(9-16(15)24-5)10-17(3,4)18(19,20)21;2-1-3/h7-9,11H,6,10H2,1-5H3;
InChIKeyVIXHWODHJIBNRV-UHFFFAOYSA-N
XLogP4.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole?
The IUPAC name of carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole (CID 161311196) is carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole.
What is the SMILES notation for carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole?
The canonical SMILES for carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole is CCc1cn(-c2ccc(CC(C)(C)C(F)(F)F)cc2OC)c(C)n1.O=C=O.
What is the InChIKey of carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole?
The InChIKey is VIXHWODHJIBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O.CO2/c1-6-14-11-23(12(2)22-14)15-8-7-13(9-16(15)24-5)10-17(3,4)18(19,20)21;2-1-3/h7-9,11H,6,10H2,1-5H3;.
What are the key properties of carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole?
carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole has a molecular weight of 384.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole is sourced from PubChem (CID 161311196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).