1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea

C15H12Br2N4O — CID 126842912

IUPAC1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br
InChIInChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
InChIKeyOWDMMIHZAJNZJR-VNIJRHKQSA-N
MW424.10 g/mol
LogP3.88
Rot. Bonds4

About 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea

1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea (PubChem CID 126842912) has the molecular formula C15H12Br2N4O and a molecular weight of 424.10 g/mol. Its IUPAC name is 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea
PubChem CID126842912
Molecular FormulaC15H12Br2N4O
Molecular Weight424.10 g/mol
Exact Mass421.94
IUPAC Name1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br
InChIInChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
InChIKeyOWDMMIHZAJNZJR-VNIJRHKQSA-N
XLogP3.88
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.10
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea (CID 126842912) is 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br.
What is the InChIKey of 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea?
The InChIKey is OWDMMIHZAJNZJR-VNIJRHKQSA-N. The full InChI is InChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+.
What are the key properties of 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea?
1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea has a molecular weight of 424.10 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(2-bromophenyl)methylideneamino]urea is sourced from PubChem (CID 126842912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).