2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole

C12H7ClFN3 — CID 64724542

IUPAC2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C12H7ClFN3/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,(H,16,17)
InChIKeySCDSXLTZRDBRQJ-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.42
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole

2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole (PubChem CID 64724542) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
PubChem CID64724542
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C12H7ClFN3/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,(H,16,17)
InChIKeySCDSXLTZRDBRQJ-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
6-fluoro-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 118723076
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole
CID 69234463
4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
CID 65198564

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole (CID 64724542) is 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole is Fc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
The InChIKey is SCDSXLTZRDBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-7-1-3-10(15-6-7)12-16-9-4-2-8(14)5-11(9)17-12/h1-6H,(H,16,17).
What are the key properties of 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole?
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole has a molecular weight of 247.66 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 64724542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).