3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one

C15H13F3N4O3 — CID 59376526

IUPAC3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one
SMILESCOCn1c(C(F)(F)F)nc2c(-c3ccc(=O)[nH]n3)ccc(OC)c21
InChIInChI=1S/C15H13F3N4O3/c1-24-7-22-13-10(25-2)5-3-8(9-4-6-11(23)21-20-9)12(13)19-14(22)15(16,17)18/h3-6H,7H2,1-2H3,(H,21,23)
InChIKeyQECCCMKOFVBWGT-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.42
Rot. Bonds4

About 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one

3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one (PubChem CID 59376526) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one
PubChem CID59376526
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one
SMILESCOCn1c(C(F)(F)F)nc2c(-c3ccc(=O)[nH]n3)ccc(OC)c21
InChIInChI=1S/C15H13F3N4O3/c1-24-7-22-13-10(25-2)5-3-8(9-4-6-11(23)21-20-9)12(13)19-14(22)15(16,17)18/h3-6H,7H2,1-2H3,(H,21,23)
InChIKeyQECCCMKOFVBWGT-UHFFFAOYSA-N
XLogP2.42
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-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-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one (CID 59376526) is 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one is COCn1c(C(F)(F)F)nc2c(-c3ccc(=O)[nH]n3)ccc(OC)c21.
What is the InChIKey of 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one?
The InChIKey is QECCCMKOFVBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-24-7-22-13-10(25-2)5-3-8(9-4-6-11(23)21-20-9)12(13)19-14(22)15(16,17)18/h3-6H,7H2,1-2H3,(H,21,23).
What are the key properties of 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one?
3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one has a molecular weight of 354.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 59376526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).