N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine

C15H16Cl2N2 — CID 50856997

IUPACN-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2Cl)cn1C(C)C
InChIInChI=1S/C15H16Cl2N2/c1-10(2)19-9-12(6-11(19)3)8-18-15-5-4-13(16)7-14(15)17/h4-10H,1-3H3/b18-8+
InChIKeyCFQMLQRWILNTPE-QGMBQPNBSA-N
MW295.21 g/mol
LogP5.43
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine

N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine (PubChem CID 50856997) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
PubChem CID50856997
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2Cl)cn1C(C)C
InChIInChI=1S/C15H16Cl2N2/c1-10(2)19-9-12(6-11(19)3)8-18-15-5-4-13(16)7-14(15)17/h4-10H,1-3H3/b18-8+
InChIKeyCFQMLQRWILNTPE-QGMBQPNBSA-N
XLogP5.43
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine (CID 50856997) is N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine is Cc1cc(/C=N/c2ccc(Cl)cc2Cl)cn1C(C)C.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
The InChIKey is CFQMLQRWILNTPE-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10(2)19-9-12(6-11(19)3)8-18-15-5-4-13(16)7-14(15)17/h4-10H,1-3H3/b18-8+.
What are the key properties of N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine?
N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine has a molecular weight of 295.21 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50856997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).