5-chloro-6-fluoro-1H-benzimidazole

C7H4ClFN2 — CID 2736527

IUPAC5-chloro-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKeyYITVVUARATZCAT-UHFFFAOYSA-N
MW170.57 g/mol
LogP2.36
Rot. Bonds

About 5-chloro-6-fluoro-1H-benzimidazole

5-chloro-6-fluoro-1H-benzimidazole (PubChem CID 2736527) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1H-benzimidazole
PubChem CID2736527
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name5-chloro-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKeyYITVVUARATZCAT-UHFFFAOYSA-N
XLogP2.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-chloro-6-fluoro-1H-benzimidazole (CID 2736527) is 5-chloro-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-fluoro-1H-benzimidazole is Fc1cc2[nH]cnc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-1H-benzimidazole?
The InChIKey is YITVVUARATZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11).
What are the key properties of 5-chloro-6-fluoro-1H-benzimidazole?
5-chloro-6-fluoro-1H-benzimidazole has a molecular weight of 170.57 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 2736527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).