(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one

C20H21N3O — CID 135418626

IUPAC(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccccc3)N/C2=N\C(C)C)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20-22-18(13-16-7-5-4-6-8-16)19(24)23(20)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,21,22)/b18-13-
InChIKeyLTNRLSZCMPVRRJ-AQTBWJFISA-N
MW319.41 g/mol
LogP3.74
Rot. Bonds3

About (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one

(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one (PubChem CID 135418626) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
PubChem CID135418626
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
SMILESCc1ccc(N2C(=O)/C(=C/c3ccccc3)N/C2=N\C(C)C)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20-22-18(13-16-7-5-4-6-8-16)19(24)23(20)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,21,22)/b18-13-
InChIKeyLTNRLSZCMPVRRJ-AQTBWJFISA-N
XLogP3.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
CID 136911485
5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135526655
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
CID 135454509
(5E)-5-[(4-methylphenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510262
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
CID 135418617
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 5411597
(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 9341847
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
(5Z)-3-(2-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6446511
5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929418

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one (CID 135418626) is (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one is Cc1ccc(N2C(=O)/C(=C/c3ccccc3)N/C2=N\C(C)C)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one?
The InChIKey is LTNRLSZCMPVRRJ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)21-20-22-18(13-16-7-5-4-6-8-16)19(24)23(20)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,21,22)/b18-13-.
What are the key properties of (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one?
(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one is sourced from PubChem (CID 135418626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).