(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one

C16H20BF2N3O — CID 123523108

IUPAC(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccc(N(CC)CC)cc2B(F)F)c(=O)n1C
InChIInChI=1S/C16H20BF2N3O/c1-5-22(6-2)13-8-7-12(14(10-13)17(18)19)9-15-16(23)21(4)11(3)20-15/h7-10,20H,3,5-6H2,1-2,4H3/b15-9-
InChIKeyHPTLFRXASJBIQT-DHDCSXOGSA-N
MW319.16 g/mol
LogP0.43
Rot. Bonds5

About (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one

(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 123523108) has the molecular formula C16H20BF2N3O and a molecular weight of 319.16 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
PubChem CID123523108
Molecular FormulaC16H20BF2N3O
Molecular Weight319.16 g/mol
Exact Mass319.17
IUPAC Name(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]/c(=C\c2ccc(N(CC)CC)cc2B(F)F)c(=O)n1C
InChIInChI=1S/C16H20BF2N3O/c1-5-22(6-2)13-8-7-12(14(10-13)17(18)19)9-15-16(23)21(4)11(3)20-15/h7-10,20H,3,5-6H2,1-2,4H3/b15-9-
InChIKeyHPTLFRXASJBIQT-DHDCSXOGSA-N
XLogP0.43
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-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

Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90759632
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
CID 46832728
3-(diethylamino)benzo[b]phenazine-6,11-dione
CID 4080326
(4E)-4-[[4-(diethylamino)-2-methylphenyl]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
CID 171634211
2,5-bis[[4-(diethylamino)-2-methylphenyl]methylidene]cyclopentan-1-one
CID 54081484
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
5-[[4-(diethylamino)-2-propan-2-yloxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2852971
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
2,6-bis[[4-(diethylamino)-2-methylphenyl]methylidene]cyclohexan-1-one
CID 54486920
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935157

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one (CID 123523108) is (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one is C=c1[nH]/c(=C\c2ccc(N(CC)CC)cc2B(F)F)c(=O)n1C.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is HPTLFRXASJBIQT-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H20BF2N3O/c1-5-22(6-2)13-8-7-12(14(10-13)17(18)19)9-15-16(23)21(4)11(3)20-15/h7-10,20H,3,5-6H2,1-2,4H3/b15-9-.
What are the key properties of (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 319.16 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 123523108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).