1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine

C23H17BrN2 — CID 126022684

IUPAC1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine
SMILESBrc1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H17BrN2/c24-20-8-4-9-22(16-20)26-15-5-10-23(26)17-25-21-13-11-19(12-14-21)18-6-2-1-3-7-18/h1-17H/b25-17+
InChIKeySGYXIRXLRSWHGS-KOEQRZSOSA-N
MW401.31 g/mol
LogP6.66
Rot. Bonds4

About 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine

1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine (PubChem CID 126022684) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine
PubChem CID126022684
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine
SMILESBrc1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H17BrN2/c24-20-8-4-9-22(16-20)26-15-5-10-23(26)17-25-21-13-11-19(12-14-21)18-6-2-1-3-7-18/h1-17H/b25-17+
InChIKeySGYXIRXLRSWHGS-KOEQRZSOSA-N
XLogP6.66
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]phenol
CID 126017200
1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine
CID 126015515
3-[2-(phenyliminomethyl)pyrrol-1-yl]benzoic acid
CID 126095422
4-[2-[(4-bromophenyl)iminomethyl]pyrrol-1-yl]benzoic acid
CID 126258705
methyl 3-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-2-methylbenzoate
CID 126015661
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-phenylprop-2-enenitrile
CID 6110751
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(2-chlorophenyl)urea
CID 126015964
1-(1-naphthalen-2-ylpyrrol-2-yl)-N-(4-nitrophenyl)methanimine
CID 4676045
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-fluorobenzamide
CID 126016581
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3,4-dichlorobenzamide
CID 126025346
5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126019330

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine?
The IUPAC name of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine (CID 126022684) is 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine.
What is the SMILES notation for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine?
The canonical SMILES for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine is Brc1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine?
The InChIKey is SGYXIRXLRSWHGS-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-20-8-4-9-22(16-20)26-15-5-10-23(26)17-25-21-13-11-19(12-14-21)18-6-2-1-3-7-18/h1-17H/b25-17+.
What are the key properties of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine?
1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine has a molecular weight of 401.31 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine is sourced from PubChem (CID 126022684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).