1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine

C18H23ClN4 — CID 2407574

IUPAC1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCc1cc(C=NN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4/c1-14-12-16(13-20-22-10-8-21(3)9-11-22)15(2)23(14)18-6-4-17(19)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFSKOZAKNLVZSJY-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.33
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 2407574) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID2407574
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCc1cc(C=NN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4/c1-14-12-16(13-20-22-10-8-21(3)9-11-22)15(2)23(14)18-6-4-17(19)5-7-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFSKOZAKNLVZSJY-UHFFFAOYSA-N
XLogP3.33
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-piperidin-1-ylmethanimine
CID 6903380
(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
CID 42992288
N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060164
3-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-methylquinazolin-4-one
CID 7965531
N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 5192296
1-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 2343708
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
CID 2106610
4-[3-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 133240781
(E)-1-[3-(4-chlorophenoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42991028
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
4-chloro-N-[(Z)-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylideneamino]benzamide
CID 126197864
N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 1049153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine (CID 2407574) is 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine is Cc1cc(C=NN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is FSKOZAKNLVZSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-14-12-16(13-20-22-10-8-21(3)9-11-22)15(2)23(14)18-6-4-17(19)5-7-18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 330.86 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 2407574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).