(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine

C14H9Br2N3O — CID 177430751

IUPAC(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C14H9Br2N3O/c15-9-6-10(16)13-11(7-9)17-14(18-13)12(19-20)8-4-2-1-3-5-8/h1-7,20H,(H,17,18)/b19-12+
InChIKeyDWKAFDXIMYLCEG-XDHOZWIPSA-N
MW395.05 g/mol
LogP4.31
Rot. Bonds2

About (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine (PubChem CID 177430751) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine
PubChem CID177430751
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C14H9Br2N3O/c15-9-6-10(16)13-11(7-9)17-14(18-13)12(19-20)8-4-2-1-3-5-8/h1-7,20H,(H,17,18)/b19-12+
InChIKeyDWKAFDXIMYLCEG-XDHOZWIPSA-N
XLogP4.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2,4,6-tribromo-1H-benzimidazole
CID 130864001
4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
CID 84635509
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide
CID 155686111
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
(NE)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine
CID 89462834
(NZ)-N-[(6-bromo-3-pyridinyl)-phenylmethylidene]hydroxylamine
CID 119086174
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662
(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine
CID 89480531

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine (CID 177430751) is (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine is O/N=C(\c1ccccc1)c1nc2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is DWKAFDXIMYLCEG-XDHOZWIPSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-6-10(16)13-11(7-9)17-14(18-13)12(19-20)8-4-2-1-3-5-8/h1-7,20H,(H,17,18)/b19-12+.
What are the key properties of (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 395.05 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4,6-dibromo-1H-benzimidazol-2-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 177430751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).