2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole

C14H10ClFN2O — CID 65018051

IUPAC2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C14H10ClFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)10-4-2-8(15)6-11(10)16/h2-7H,1H3,(H,17,18)
InChIKeyWVGSPBAJGRINLC-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole

2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole (PubChem CID 65018051) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
PubChem CID65018051
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C14H10ClFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)10-4-2-8(15)6-11(10)16/h2-7H,1H3,(H,17,18)
InChIKeyWVGSPBAJGRINLC-UHFFFAOYSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole (CID 65018051) is 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3ccc(Cl)cc3F)[nH]c2c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is WVGSPBAJGRINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-9-3-5-12-13(7-9)18-14(17-12)10-4-2-8(15)6-11(10)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole?
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 276.70 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 65018051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).