4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole

C16H12FN5S — CID 164861468

IUPAC4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
SMILESCc1snnc1-c1nc2c(F)cccc2n1Cc1cccnc1
InChIInChI=1S/C16H12FN5S/c1-10-14(20-21-23-10)16-19-15-12(17)5-2-6-13(15)22(16)9-11-4-3-7-18-8-11/h2-8H,9H2,1H3
InChIKeyWMGMYIJPNIXUOI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.45
Rot. Bonds3

About 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole

4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole (PubChem CID 164861468) has the molecular formula C16H12FN5S and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole.

Molecular Properties

Compound Name4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
PubChem CID164861468
Molecular FormulaC16H12FN5S
Molecular Weight325.37 g/mol
Exact Mass325.08
IUPAC Name4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
SMILESCc1snnc1-c1nc2c(F)cccc2n1Cc1cccnc1
InChIInChI=1S/C16H12FN5S/c1-10-14(20-21-23-10)16-19-15-12(17)5-2-6-13(15)22(16)9-11-4-3-7-18-8-11/h2-8H,9H2,1H3
InChIKeyWMGMYIJPNIXUOI-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
2-(2-chloroethyl)-4-fluoro-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62991268
3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861582
3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
CID 164861541
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
CID 164861627
N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861414
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
2-(1-chloroethyl)-4-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60903372
4-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 104837724
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole?
The IUPAC name of 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole (CID 164861468) is 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole.
What is the SMILES notation for 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole?
The canonical SMILES for 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole is Cc1snnc1-c1nc2c(F)cccc2n1Cc1cccnc1.
What is the InChIKey of 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole?
The InChIKey is WMGMYIJPNIXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5S/c1-10-14(20-21-23-10)16-19-15-12(17)5-2-6-13(15)22(16)9-11-4-3-7-18-8-11/h2-8H,9H2,1H3.
What are the key properties of 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole?
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole has a molecular weight of 325.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole is sourced from PubChem (CID 164861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).