N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide

C19H16BrCl2N5O — CID 11070888

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide
SMILESCN(C)c1nc(C(=O)N/N=C/c2ccc(Br)cc2)c(Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16BrCl2N5O/c1-26(2)19-24-16(17(22)27(19)15-9-7-14(21)8-10-15)18(28)25-23-11-12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,25,28)/b23-11+
InChIKeyOTRVRIHFOAOFKY-FOKLQQMPSA-N
MW481.18 g/mol
LogP4.77
Rot. Bonds5

About N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide

N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide (PubChem CID 11070888) has the molecular formula C19H16BrCl2N5O and a molecular weight of 481.18 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide
PubChem CID11070888
Molecular FormulaC19H16BrCl2N5O
Molecular Weight481.18 g/mol
Exact Mass478.99
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide
SMILESCN(C)c1nc(C(=O)N/N=C/c2ccc(Br)cc2)c(Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16BrCl2N5O/c1-26(2)19-24-16(17(22)27(19)15-9-7-14(21)8-10-15)18(28)25-23-11-12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,25,28)/b23-11+
InChIKeyOTRVRIHFOAOFKY-FOKLQQMPSA-N
XLogP4.77
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-5-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 126066526
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(4-bromophenyl)methylideneamino]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 1003079
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
CID 94831822
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide (CID 11070888) is N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide is CN(C)c1nc(C(=O)N/N=C/c2ccc(Br)cc2)c(Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide?
The InChIKey is OTRVRIHFOAOFKY-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H16BrCl2N5O/c1-26(2)19-24-16(17(22)27(19)15-9-7-14(21)8-10-15)18(28)25-23-11-12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,25,28)/b23-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide has a molecular weight of 481.18 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide is sourced from PubChem (CID 11070888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).