5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

C14H11F2N3 — CID 116620901

IUPAC5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2N3/c1-9-3-2-4-17-13(9)7-19-8-18-12-5-10(15)11(16)6-14(12)19/h2-6,8H,7H2,1H3
InChIKeyXSIRRJYKFAVDDJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.07
Rot. Bonds2

About 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 116620901) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
PubChem CID116620901
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2N3/c1-9-3-2-4-17-13(9)7-19-8-18-12-5-10(15)11(16)6-14(12)19/h2-6,8H,7H2,1H3
InChIKeyXSIRRJYKFAVDDJ-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (CID 116620901) is 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is Cc1cccnc1Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is XSIRRJYKFAVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-9-3-2-4-17-13(9)7-19-8-18-12-5-10(15)11(16)6-14(12)19/h2-6,8H,7H2,1H3.
What are the key properties of 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole has a molecular weight of 259.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 116620901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).