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

C19H17ClN2 — CID 2739636

IUPACN-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine
SMILESCc1ccc(C)n1-c1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2/c1-14-3-4-15(2)22(14)19-11-5-16(6-12-19)13-21-18-9-7-17(20)8-10-18/h3-13H,1-2H3/b21-13+
InChIKeyGGEQEOJWHLPTLV-FYJGNVAPSA-N
MW308.81 g/mol
LogP5.50
Rot. Bonds3

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

N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine (PubChem CID 2739636) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine
PubChem CID2739636
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC NameN-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine
SMILESCc1ccc(C)n1-c1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2/c1-14-3-4-15(2)22(14)19-11-5-16(6-12-19)13-21-18-9-7-17(20)8-10-18/h3-13H,1-2H3/b21-13+
InChIKeyGGEQEOJWHLPTLV-FYJGNVAPSA-N
XLogP5.50
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine (CID 2739636) is N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine is Cc1ccc(C)n1-c1ccc(/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine?
The InChIKey is GGEQEOJWHLPTLV-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17ClN2/c1-14-3-4-15(2)22(14)19-11-5-16(6-12-19)13-21-18-9-7-17(20)8-10-18/h3-13H,1-2H3/b21-13+.
What are the key properties of N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine?
N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine has a molecular weight of 308.81 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanimine is sourced from PubChem (CID 2739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).