5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

C17H13BrN4O — CID 139226157

IUPAC5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Br)cc2)CC1n1cnc2ccccc21
InChIInChI=1S/C17H13BrN4O/c18-12-7-5-11(6-8-12)14-9-16(17(23)21-20-14)22-10-19-13-3-1-2-4-15(13)22/h1-8,10,16H,9H2,(H,21,23)
InChIKeyJBEFMRBAZDNHIS-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.26
Rot. Bonds2

About 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one

5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 139226157) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID139226157
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Br)cc2)CC1n1cnc2ccccc21
InChIInChI=1S/C17H13BrN4O/c18-12-7-5-11(6-8-12)14-9-16(17(23)21-20-14)22-10-19-13-3-1-2-4-15(13)22/h1-8,10,16H,9H2,(H,21,23)
InChIKeyJBEFMRBAZDNHIS-UHFFFAOYSA-N
XLogP3.26
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 139226157) is 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccc(Br)cc2)CC1n1cnc2ccccc21.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JBEFMRBAZDNHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-12-7-5-11(6-8-12)14-9-16(17(23)21-20-14)22-10-19-13-3-1-2-4-15(13)22/h1-8,10,16H,9H2,(H,21,23).
What are the key properties of 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one?
5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 369.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 139226157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).