N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine

C17H13BrClN3O — CID 73203007

IUPACN-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H13BrClN3O/c1-11(21-23)16-10-22(13-8-6-12(18)7-9-13)17(20-16)14-4-2-3-5-15(14)19/h2-10,23H,1H3
InChIKeySNMUBIHIJVLJBP-UHFFFAOYSA-N
MW390.67 g/mol
LogP5.15
Rot. Bonds3

About N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine

N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine (PubChem CID 73203007) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine
PubChem CID73203007
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC NameN-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H13BrClN3O/c1-11(21-23)16-10-22(13-8-6-12(18)7-9-13)17(20-16)14-4-2-3-5-15(14)19/h2-10,23H,1H3
InChIKeySNMUBIHIJVLJBP-UHFFFAOYSA-N
XLogP5.15
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.67
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine (CID 73203007) is N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine is CC(=NO)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine?
The InChIKey is SNMUBIHIJVLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c1-11(21-23)16-10-22(13-8-6-12(18)7-9-13)17(20-16)14-4-2-3-5-15(14)19/h2-10,23H,1H3.
What are the key properties of N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine?
N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine has a molecular weight of 390.67 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 73203007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).