5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide

C14H9BrClN5O — CID 90486810

IUPAC5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1cn2c(Br)cncc2n1
InChIInChI=1S/C14H9BrClN5O/c15-12-6-17-7-13-19-11(8-21(12)13)14(22)20-18-5-9-1-3-10(16)4-2-9/h1-8H,(H,20,22)/b18-5+
InChIKeyYBHXDXFAZIWRGN-BLLMUTORSA-N
MW378.62 g/mol
LogP2.91
Rot. Bonds3

About 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide

5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90486810) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90486810
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC Name5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1cn2c(Br)cncc2n1
InChIInChI=1S/C14H9BrClN5O/c15-12-6-17-7-13-19-11(8-21(12)13)14(22)20-18-5-9-1-3-10(16)4-2-9/h1-8H,(H,20,22)/b18-5+
InChIKeyYBHXDXFAZIWRGN-BLLMUTORSA-N
XLogP2.91
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 52.91
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

5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 171137660
4-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6869074
N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]triazole-4-carboxamide
CID 175602536
N-[(E)-benzylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 44726099
N-[(E)-(4-bromophenyl)methylideneamino]-5-chloro-1-(4-chlorophenyl)-2-(dimethylamino)imidazole-4-carboxamide
CID 11070888
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
4-chloro-N-[(4-chlorophenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 75967913
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide (CID 90486810) is 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1cn2c(Br)cncc2n1.
What is the InChIKey of 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YBHXDXFAZIWRGN-BLLMUTORSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-12-6-17-7-13-19-11(8-21(12)13)14(22)20-18-5-9-1-3-10(16)4-2-9/h1-8H,(H,20,22)/b18-5+.
What are the key properties of 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide?
5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 378.62 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90486810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).