6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole

C12H7ClFN3 — CID 104786095

IUPAC6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
SMILESFc1cncc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C12H7ClFN3/c13-8-1-2-10-11(4-8)17-12(16-10)7-3-9(14)6-15-5-7/h1-6H,(H,16,17)
InChIKeyPVCWZFFOFMJPQR-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.42
Rot. Bonds1

About 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole

6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole (PubChem CID 104786095) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
PubChem CID104786095
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
SMILESFc1cncc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C12H7ClFN3/c13-8-1-2-10-11(4-8)17-12(16-10)7-3-9(14)6-15-5-7/h1-6H,(H,16,17)
InChIKeyPVCWZFFOFMJPQR-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

2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 135804671
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole (CID 104786095) is 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole is Fc1cncc(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is PVCWZFFOFMJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-8-1-2-10-11(4-8)17-12(16-10)7-3-9(14)6-15-5-7/h1-6H,(H,16,17).
What are the key properties of 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole?
6-chloro-2-(5-fluoro-3-pyridinyl)-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 6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 104786095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).