3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole

C15H13FN6S — CID 164861627

IUPAC3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
SMILESCc1nsnc1-c1nc2c(F)cccc2n1CC1=CC=CNN1
InChIInChI=1S/C15H13FN6S/c1-9-13(21-23-20-9)15-18-14-11(16)5-2-6-12(14)22(15)8-10-4-3-7-17-19-10/h2-7,17,19H,8H2,1H3
InChIKeySZVUBFALDCUIHQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.51
Rot. Bonds3

About 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole

3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole (PubChem CID 164861627) has the molecular formula C15H13FN6S and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
PubChem CID164861627
Molecular FormulaC15H13FN6S
Molecular Weight328.38 g/mol
Exact Mass328.09
IUPAC Name3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
SMILESCc1nsnc1-c1nc2c(F)cccc2n1CC1=CC=CNN1
InChIInChI=1S/C15H13FN6S/c1-9-13(21-23-20-9)15-18-14-11(16)5-2-6-12(14)22(15)8-10-4-3-7-17-19-10/h2-7,17,19H,8H2,1H3
InChIKeySZVUBFALDCUIHQ-UHFFFAOYSA-N
XLogP2.51
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 164861523
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
CID 164861468
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861582
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
2-(1-chloroethyl)-4-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60903372

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole?
The IUPAC name of 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole (CID 164861627) is 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole?
The canonical SMILES for 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole is Cc1nsnc1-c1nc2c(F)cccc2n1CC1=CC=CNN1.
What is the InChIKey of 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole?
The InChIKey is SZVUBFALDCUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6S/c1-9-13(21-23-20-9)15-18-14-11(16)5-2-6-12(14)22(15)8-10-4-3-7-17-19-10/h2-7,17,19H,8H2,1H3.
What are the key properties of 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole?
3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole has a molecular weight of 328.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole is sourced from PubChem (CID 164861627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).