3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde

C22H25ClN4O — CID 174337938

IUPAC3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde
SMILESCN1CCN(c2ccccc2C=C2NCN(c3ccc(Cl)cc3)C2C=O)CC1
InChIInChI=1S/C22H25ClN4O/c1-25-10-12-26(13-11-25)21-5-3-2-4-17(21)14-20-22(15-28)27(16-24-20)19-8-6-18(23)7-9-19/h2-9,14-15,22,24H,10-13,16H2,1H3
InChIKeyIWCVKEVIOHVOAK-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.07
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde

3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde (PubChem CID 174337938) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde
PubChem CID174337938
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde
SMILESCN1CCN(c2ccccc2C=C2NCN(c3ccc(Cl)cc3)C2C=O)CC1
InChIInChI=1S/C22H25ClN4O/c1-25-10-12-26(13-11-25)21-5-3-2-4-17(21)14-20-22(15-28)27(16-24-20)19-8-6-18(23)7-9-19/h2-9,14-15,22,24H,10-13,16H2,1H3
InChIKeyIWCVKEVIOHVOAK-UHFFFAOYSA-N
XLogP3.07
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde
CID 174369317
(2E)-4-[(4-chlorophenyl)methyl]-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]morpholin-3-one
CID 11452652
1-(2,4-dichlorophenyl)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]pyrrolidin-2-one
CID 54191443
4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholine-3,5-dione
CID 54074424
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
4-(3,4-dichlorophenyl)-2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholine-3-carbaldehyde
CID 174326589
2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
4-benzyl-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one
CID 54508047
1-(4-chlorophenyl)-3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperidin-2-one
CID 54102788
(2E)-4-[4-(2-hydroxypropan-2-yl)phenyl]-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]morpholin-3-one
CID 11362192
2-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174775577
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde (CID 174337938) is 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde is CN1CCN(c2ccccc2C=C2NCN(c3ccc(Cl)cc3)C2C=O)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde?
The InChIKey is IWCVKEVIOHVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-25-10-12-26(13-11-25)21-5-3-2-4-17(21)14-20-22(15-28)27(16-24-20)19-8-6-18(23)7-9-19/h2-9,14-15,22,24H,10-13,16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde?
3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde has a molecular weight of 396.92 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]imidazolidine-4-carbaldehyde is sourced from PubChem (CID 174337938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).