3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one

C14H16N4O3 — CID 139654895

IUPAC3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1cc2[nH]c(C3=NNC(=O)CC3)nc2cc1OC
InChIInChI=1S/C14H16N4O3/c1-3-21-12-7-10-9(6-11(12)20-2)15-14(16-10)8-4-5-13(19)18-17-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyUWTMZQQSWVMZDN-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.58
Rot. Bonds4

About 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 139654895) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID139654895
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCOc1cc2[nH]c(C3=NNC(=O)CC3)nc2cc1OC
InChIInChI=1S/C14H16N4O3/c1-3-21-12-7-10-9(6-11(12)20-2)15-14(16-10)8-4-5-13(19)18-17-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyUWTMZQQSWVMZDN-UHFFFAOYSA-N
XLogP1.58
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 139654895) is 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one is CCOc1cc2[nH]c(C3=NNC(=O)CC3)nc2cc1OC.
What is the InChIKey of 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UWTMZQQSWVMZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-21-12-7-10-9(6-11(12)20-2)15-14(16-10)8-4-5-13(19)18-17-8/h6-7H,3-5H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 288.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-5-methoxy-1H-benzimidazol-2-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 139654895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).