4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole

C13H8F3N3 — CID 66693765

IUPAC4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2cncc(F)c2)nc2c(F)c(F)ccc21
InChIInChI=1S/C13H8F3N3/c1-19-10-3-2-9(15)11(16)12(10)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3
InChIKeyBLCGHKQAQOMTIU-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.05
Rot. Bonds1

About 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole

4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole (PubChem CID 66693765) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole
PubChem CID66693765
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2cncc(F)c2)nc2c(F)c(F)ccc21
InChIInChI=1S/C13H8F3N3/c1-19-10-3-2-9(15)11(16)12(10)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3
InChIKeyBLCGHKQAQOMTIU-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole (CID 66693765) is 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole is Cn1c(-c2cncc(F)c2)nc2c(F)c(F)ccc21.
What is the InChIKey of 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole?
The InChIKey is BLCGHKQAQOMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c1-19-10-3-2-9(15)11(16)12(10)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3.
What are the key properties of 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole?
4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole has a molecular weight of 263.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 66693765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).