3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole

C15H10F2N6O — CID 164861514

IUPAC3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2cc(F)cc(F)c2n1Cc1cccnn1
InChIInChI=1S/C15H10F2N6O/c1-8-13(22-24-21-8)15-19-12-6-9(16)5-11(17)14(12)23(15)7-10-3-2-4-18-20-10/h2-6H,7H2,1H3
InChIKeyDLFIHRWYGUCHSU-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.51
Rot. Bonds3

About 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole

3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 164861514) has the molecular formula C15H10F2N6O and a molecular weight of 328.28 g/mol. Its IUPAC name is 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID164861514
Molecular FormulaC15H10F2N6O
Molecular Weight328.28 g/mol
Exact Mass328.09
IUPAC Name3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2cc(F)cc(F)c2n1Cc1cccnn1
InChIInChI=1S/C15H10F2N6O/c1-8-13(22-24-21-8)15-19-12-6-9(16)5-11(17)14(12)23(15)7-10-3-2-4-18-20-10/h2-6H,7H2,1H3
InChIKeyDLFIHRWYGUCHSU-UHFFFAOYSA-N
XLogP2.51
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861531
4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861508
3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
CID 164861743
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896969
3-(2,6-difluorophenyl)-4-methyl-1,2,5-oxadiazole
CID 154931672
2-(1-chloroethyl)-5-methyl-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896957
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
2-methyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897309
3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861582
6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 106897039

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole (CID 164861514) is 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1-c1nc2cc(F)cc(F)c2n1Cc1cccnn1.
What is the InChIKey of 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is DLFIHRWYGUCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6O/c1-8-13(22-24-21-8)15-19-12-6-9(16)5-11(17)14(12)23(15)7-10-3-2-4-18-20-10/h2-6H,7H2,1H3.
What are the key properties of 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 328.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 164861514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).