4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole

C14H11F2N3 — CID 66693083

IUPAC4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1nc2c(F)c(F)ccc2n1C
InChIInChI=1S/C14H11F2N3/c1-8-5-6-17-7-9(8)14-18-13-11(19(14)2)4-3-10(15)12(13)16/h3-7H,1-2H3
InChIKeyGKTDGWMAOGEOMY-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.22
Rot. Bonds1

About 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole

4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole (PubChem CID 66693083) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole
PubChem CID66693083
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1nc2c(F)c(F)ccc2n1C
InChIInChI=1S/C14H11F2N3/c1-8-5-6-17-7-9(8)14-18-13-11(19(14)2)4-3-10(15)12(13)16/h3-7H,1-2H3
InChIKeyGKTDGWMAOGEOMY-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole (CID 66693083) is 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole is Cc1ccncc1-c1nc2c(F)c(F)ccc2n1C.
What is the InChIKey of 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is GKTDGWMAOGEOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-5-6-17-7-9(8)14-18-13-11(19(14)2)4-3-10(15)12(13)16/h3-7H,1-2H3.
What are the key properties of 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole?
4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 259.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-methyl-2-(4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 66693083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).