1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine

C18H12BrCl2NO — CID 126253258

IUPAC1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
SMILESCc1ccc(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c(Br)c1
InChIInChI=1S/C18H12BrCl2NO/c1-11-2-5-14(15(19)8-11)18-7-4-13(23-18)10-22-12-3-6-16(20)17(21)9-12/h2-10H,1H3/b22-10+
InChIKeyBQKFLAPJJIIVHK-LSHDLFTRSA-N
MW409.11 g/mol
LogP7.07
Rot. Bonds3

About 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine

1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine (PubChem CID 126253258) has the molecular formula C18H12BrCl2NO and a molecular weight of 409.11 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
PubChem CID126253258
Molecular FormulaC18H12BrCl2NO
Molecular Weight409.11 g/mol
Exact Mass406.95
IUPAC Name1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
SMILESCc1ccc(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c(Br)c1
InChIInChI=1S/C18H12BrCl2NO/c1-11-2-5-14(15(19)8-11)18-7-4-13(23-18)10-22-12-3-6-16(20)17(21)9-12/h2-10H,1H3/b22-10+
InChIKeyBQKFLAPJJIIVHK-LSHDLFTRSA-N
XLogP7.07
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.11
LogP ≤ 57.07
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

(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 50879288
N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
CID 5137705
1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 171979302
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methylphenol
CID 7209690
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 126256000
(5E)-2-(4-bromo-3-chlorophenyl)imino-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126021093
1-[5-(2-bromophenyl)furan-2-yl]-N-phenylmethanimine
CID 50885266
N-[(2R)-1-[(2Z)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 126177531
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137077179
2-(2-bromo-4-methylphenyl)-5-(2-nitroethenyl)furan
CID 898866
4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 4685118
1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
CID 14006827

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine?
The IUPAC name of 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine (CID 126253258) is 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine.
What is the SMILES notation for 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine?
The canonical SMILES for 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine is Cc1ccc(-c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)c(Br)c1.
What is the InChIKey of 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine?
The InChIKey is BQKFLAPJJIIVHK-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H12BrCl2NO/c1-11-2-5-14(15(19)8-11)18-7-4-13(23-18)10-22-12-3-6-16(20)17(21)9-12/h2-10H,1H3/b22-10+.
What are the key properties of 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine?
1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine has a molecular weight of 409.11 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine is sourced from PubChem (CID 126253258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).