(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one

C15H15F3N2O — CID 177449662

IUPAC(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one
SMILESCCCN1C(=O)/C(=C/c2ccccc2C(F)(F)F)N=C1C
InChIInChI=1S/C15H15F3N2O/c1-3-8-20-10(2)19-13(14(20)21)9-11-6-4-5-7-12(11)15(16,17)18/h4-7,9H,3,8H2,1-2H3/b13-9-
InChIKeyQTYJBHOFLHZNRU-LCYFTJDESA-N
MW296.29 g/mol
LogP3.72
Rot. Bonds3

About (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one

(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one (PubChem CID 177449662) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one
PubChem CID177449662
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one
SMILESCCCN1C(=O)/C(=C/c2ccccc2C(F)(F)F)N=C1C
InChIInChI=1S/C15H15F3N2O/c1-3-8-20-10(2)19-13(14(20)21)9-11-6-4-5-7-12(11)15(16,17)18/h4-7,9H,3,8H2,1-2H3/b13-9-
InChIKeyQTYJBHOFLHZNRU-LCYFTJDESA-N
XLogP3.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one (CID 177449662) is (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one is CCCN1C(=O)/C(=C/c2ccccc2C(F)(F)F)N=C1C.
What is the InChIKey of (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one?
The InChIKey is QTYJBHOFLHZNRU-LCYFTJDESA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-3-8-20-10(2)19-13(14(20)21)9-11-6-4-5-7-12(11)15(16,17)18/h4-7,9H,3,8H2,1-2H3/b13-9-.
What are the key properties of (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one?
(5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one has a molecular weight of 296.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-3-propyl-5-[[2-(trifluoromethyl)phenyl]methylidene]imidazol-4-one is sourced from PubChem (CID 177449662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).