1-chloro-6-fluorobenzimidazole

C7H4ClFN2 — CID 68638667

IUPAC1-chloro-6-fluorobenzimidazole
SMILESFc1ccc2ncn(Cl)c2c1
InChIInChI=1S/C7H4ClFN2/c8-11-4-10-6-2-1-5(9)3-7(6)11/h1-4H
InChIKeyJALAEOVCPNZTDY-UHFFFAOYSA-N
MW170.57 g/mol
LogP2.18
Rot. Bonds

About 1-chloro-6-fluorobenzimidazole

1-chloro-6-fluorobenzimidazole (PubChem CID 68638667) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 1-chloro-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-chloro-6-fluorobenzimidazole
PubChem CID68638667
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name1-chloro-6-fluorobenzimidazole
SMILESFc1ccc2ncn(Cl)c2c1
InChIInChI=1S/C7H4ClFN2/c8-11-4-10-6-2-1-5(9)3-7(6)11/h1-4H
InChIKeyJALAEOVCPNZTDY-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluorobenzimidazole?
The IUPAC name of 1-chloro-6-fluorobenzimidazole (CID 68638667) is 1-chloro-6-fluorobenzimidazole.
What is the SMILES notation for 1-chloro-6-fluorobenzimidazole?
The canonical SMILES for 1-chloro-6-fluorobenzimidazole is Fc1ccc2ncn(Cl)c2c1.
What is the InChIKey of 1-chloro-6-fluorobenzimidazole?
The InChIKey is JALAEOVCPNZTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c8-11-4-10-6-2-1-5(9)3-7(6)11/h1-4H.
What are the key properties of 1-chloro-6-fluorobenzimidazole?
1-chloro-6-fluorobenzimidazole has a molecular weight of 170.57 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluorobenzimidazole is sourced from PubChem (CID 68638667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).