(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one

C15H17F2N3O2 — CID 141330604

IUPAC(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one
SMILESCCCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C15H17F2N3O2/c1-2-3-6-18-15-19-11(14(22)20-15)7-9-4-5-10(13(16)17)12(21)8-9/h4-5,7-8,13,21H,2-3,6H2,1H3,(H2,18,19,20,22)/b11-7-
InChIKeyRELOMDBSUMSVMU-XFFZJAGNSA-N
MW309.32 g/mol
LogP2.55
Rot. Bonds5

About (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one

(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one (PubChem CID 141330604) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one
PubChem CID141330604
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one
SMILESCCCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C15H17F2N3O2/c1-2-3-6-18-15-19-11(14(22)20-15)7-9-4-5-10(13(16)17)12(21)8-9/h4-5,7-8,13,21H,2-3,6H2,1H3,(H2,18,19,20,22)/b11-7-
InChIKeyRELOMDBSUMSVMU-XFFZJAGNSA-N
XLogP2.55
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-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 (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one?
The IUPAC name of (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one (CID 141330604) is (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one?
The canonical SMILES for (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one is CCCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1.
What is the InChIKey of (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one?
The InChIKey is RELOMDBSUMSVMU-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-2-3-6-18-15-19-11(14(22)20-15)7-9-4-5-10(13(16)17)12(21)8-9/h4-5,7-8,13,21H,2-3,6H2,1H3,(H2,18,19,20,22)/b11-7-.
What are the key properties of (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one?
(5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one has a molecular weight of 309.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-butylimino-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]imidazolidin-4-one is sourced from PubChem (CID 141330604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).