2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole

C18H11ClFN3 — CID 168555276

IUPAC2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
SMILESFc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cnc1Cl
InChIInChI=1S/C18H11ClFN3/c19-17-14(20)9-13(10-21-17)11-5-7-12(8-6-11)18-22-15-3-1-2-4-16(15)23-18/h1-10H,(H,22,23)
InChIKeyZCMMWVRZXPZUEF-UHFFFAOYSA-N
MW323.76 g/mol
LogP5.08
Rot. Bonds2

About 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole

2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole (PubChem CID 168555276) has the molecular formula C18H11ClFN3 and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
PubChem CID168555276
Molecular FormulaC18H11ClFN3
Molecular Weight323.76 g/mol
Exact Mass323.06
IUPAC Name2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
SMILESFc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cnc1Cl
InChIInChI=1S/C18H11ClFN3/c19-17-14(20)9-13(10-21-17)11-5-7-12(8-6-11)18-22-15-3-1-2-4-16(15)23-18/h1-10H,(H,22,23)
InChIKeyZCMMWVRZXPZUEF-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole (CID 168555276) is 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole is Fc1cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cnc1Cl.
What is the InChIKey of 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole?
The InChIKey is ZCMMWVRZXPZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3/c19-17-14(20)9-13(10-21-17)11-5-7-12(8-6-11)18-22-15-3-1-2-4-16(15)23-18/h1-10H,(H,22,23).
What are the key properties of 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole?
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole has a molecular weight of 323.76 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).