N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine

C19H18N2 — CID 134947444

IUPACN-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine
SMILESCc1ccc(C)n1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyZMVBLJYXJPUNLP-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.41
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine

N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine (PubChem CID 134947444) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine
PubChem CID134947444
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine
SMILESCc1ccc(C)n1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyZMVBLJYXJPUNLP-UHFFFAOYSA-N
XLogP4.41
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine (CID 134947444) is N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine is Cc1ccc(C)n1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine?
The InChIKey is ZMVBLJYXJPUNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-15-13-14-16(2)21(15)20-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine?
N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine has a molecular weight of 274.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 134947444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).