(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one

C21H22ClN3O — CID 135418617

IUPAC(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
SMILESCCCCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-2-3-7-14-23-21-24-19(15-16-8-5-4-6-9-16)20(26)25(21)18-12-10-17(22)11-13-18/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,23,24)/b19-15-
InChIKeyXFFCOFZJNYKZSH-CYVLTUHYSA-N
MW367.88 g/mol
LogP4.86
Rot. Bonds6

About (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one

(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one (PubChem CID 135418617) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
PubChem CID135418617
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
SMILESCCCCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c1-2-3-7-14-23-21-24-19(15-16-8-5-4-6-9-16)20(26)25(21)18-12-10-17(22)11-13-18/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,23,24)/b19-15-
InChIKeyXFFCOFZJNYKZSH-CYVLTUHYSA-N
XLogP4.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
CID 135454509
5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135526655
(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
CID 136911485
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135418631
(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
CID 135418626
(5E)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1487296
3-(4-chlorophenyl)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 3066797
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
CID 900674
5-benzylidene-1-(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90781377
(4Z)-4-benzylidene-2-(4-chlorophenyl)-5-methylpyrazol-3-one
CID 6116222

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one (CID 135418617) is (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one is CCCCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one?
The InChIKey is XFFCOFZJNYKZSH-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-2-3-7-14-23-21-24-19(15-16-8-5-4-6-9-16)20(26)25(21)18-12-10-17(22)11-13-18/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,23,24)/b19-15-.
What are the key properties of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one?
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one has a molecular weight of 367.88 g/mol, XLogP of 4.86, 6 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-chlorophenyl)-2-pentyliminoimidazolidin-4-one is sourced from PubChem (CID 135418617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).