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Pimobendan

C19H18N4O2 — CID 4823

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyGLBJJMFZWDBELO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.10
Rot. Bonds3

About Pimobendan

Pimobendan (PubChem CID 4823) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound NamePimobendan
PubChem CID4823
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyGLBJJMFZWDBELO-UHFFFAOYSA-N
XLogP3.10
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(2-methoxyphenyl)phenyl]butanedioic acid
CID 135559116
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazole
CID 14145040
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(4-methoxyphenyl)phenyl]butanedioic acid
CID 135559129

Frequently Asked Questions

What is the IUPAC name of Pimobendan?
The IUPAC name of Pimobendan (CID 4823) is 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for Pimobendan?
The canonical SMILES for Pimobendan is COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1.
What is the InChIKey of Pimobendan?
The InChIKey is GLBJJMFZWDBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of Pimobendan?
Pimobendan has a molecular weight of 334.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pimobendan is sourced from PubChem (CID 4823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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