N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine

C17H13BrN2 — CID 50855402

IUPACN-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13BrN2/c18-15-6-8-16(9-7-15)19-12-14-10-11-20(13-14)17-4-2-1-3-5-17/h1-13H/b19-12+
InChIKeyHPBRQIXLPIGDBI-XDHOZWIPSA-N
MW325.21 g/mol
LogP4.99
Rot. Bonds3

About N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine

N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine (PubChem CID 50855402) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
PubChem CID50855402
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC NameN-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESBrc1ccc(/N=C/c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H13BrN2/c18-15-6-8-16(9-7-15)19-12-14-10-11-20(13-14)17-4-2-1-3-5-17/h1-13H/b19-12+
InChIKeyHPBRQIXLPIGDBI-XDHOZWIPSA-N
XLogP4.99
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.99
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-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine (CID 50855402) is N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine is Brc1ccc(/N=C/c2ccn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The InChIKey is HPBRQIXLPIGDBI-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-15-6-8-16(9-7-15)19-12-14-10-11-20(13-14)17-4-2-1-3-5-17/h1-13H/b19-12+.
What are the key properties of N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine has a molecular weight of 325.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50855402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).