2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole

C13H7ClF3N3 — CID 155154535

IUPAC2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cl)nc3c(F)cc(F)cc32)nc1
InChIInChI=1S/C13H7ClF3N3/c14-13-19-12-10(17)3-8(16)4-11(12)20(13)6-9-2-1-7(15)5-18-9/h1-5H,6H2
InChIKeyBZGMUYMHGBKCQB-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole

2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole (PubChem CID 155154535) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole
PubChem CID155154535
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cl)nc3c(F)cc(F)cc32)nc1
InChIInChI=1S/C13H7ClF3N3/c14-13-19-12-10(17)3-8(16)4-11(12)20(13)6-9-2-1-7(15)5-18-9/h1-5H,6H2
InChIKeyBZGMUYMHGBKCQB-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole (CID 155154535) is 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole is Fc1ccc(Cn2c(Cl)nc3c(F)cc(F)cc32)nc1.
What is the InChIKey of 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole?
The InChIKey is BZGMUYMHGBKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-13-19-12-10(17)3-8(16)4-11(12)20(13)6-9-2-1-7(15)5-18-9/h1-5H,6H2.
What are the key properties of 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole?
2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole has a molecular weight of 297.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 155154535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).