N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C18H12BrN5O3 — CID 108803980

IUPACN-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C18H12BrN5O3/c19-10-1-4-12(5-2-10)24-16(26)8-15(25)17(23-24)18(27)22-11-3-6-13-14(7-11)21-9-20-13/h1-9,25H,(H,20,21)(H,22,27)
InChIKeyRUYBJRDLVWTLJX-UHFFFAOYSA-N
MW426.23 g/mol
LogP2.83
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 108803980) has the molecular formula C18H12BrN5O3 and a molecular weight of 426.23 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID108803980
Molecular FormulaC18H12BrN5O3
Molecular Weight426.23 g/mol
Exact Mass425.01
IUPAC NameN-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O
InChIInChI=1S/C18H12BrN5O3/c19-10-1-4-12(5-2-10)24-16(26)8-15(25)17(23-24)18(27)22-11-3-6-13-14(7-11)21-9-20-13/h1-9,25H,(H,20,21)(H,22,27)
InChIKeyRUYBJRDLVWTLJX-UHFFFAOYSA-N
XLogP2.83
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
N-(3-acetylphenyl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803973
5-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]-2-chlorobenzoic acid
CID 108803869
ethyl 4-[[1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carbonyl]amino]benzoate
CID 108791374
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
1-(4-bromophenyl)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
1-(4-bromophenyl)-4-hydroxy-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 108803884
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 108791405
1-(4-bromophenyl)-N-[4-(diethylamino)-2-methylphenyl]-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791542
1-(4-bromophenyl)-4-hydroxy-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108791469

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 108803980) is N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)c1nn(-c2ccc(Br)cc2)c(=O)cc1O.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is RUYBJRDLVWTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O3/c19-10-1-4-12(5-2-10)24-16(26)8-15(25)17(23-24)18(27)22-11-3-6-13-14(7-11)21-9-20-13/h1-9,25H,(H,20,21)(H,22,27).
What are the key properties of N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 426.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108803980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).