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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Related Compounds

(3R,4S)-1-[4,6-difluoro-1-[(5-isocyano-2-pyridinyl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
CID 155619708
2-(1-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-4,6-difluorobenzimidazole
CID 115509551
2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
CID 113325666
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867
6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
CID 155154571
2-chloro-1-[(6-fluoro-2-pyridinyl)methyl]-6-iodoimidazo[4,5-b]pyridine
CID 138522291
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509558
1-[(5-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)-4,6-difluorobenzimidazole
CID 115509554

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).