2-benzyl-4-chloro-6-fluoro-1H-benzimidazole

C14H10ClFN2 — CID 134115858

IUPAC2-benzyl-4-chloro-6-fluoro-1H-benzimidazole
SMILESFc1cc(Cl)c2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C14H10ClFN2/c15-11-7-10(16)8-12-14(11)18-13(17-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyVIHNQEIQOXLMOR-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.95
Rot. Bonds2

About 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole

2-benzyl-4-chloro-6-fluoro-1H-benzimidazole (PubChem CID 134115858) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-4-chloro-6-fluoro-1H-benzimidazole
PubChem CID134115858
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-benzyl-4-chloro-6-fluoro-1H-benzimidazole
SMILESFc1cc(Cl)c2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C14H10ClFN2/c15-11-7-10(16)8-12-14(11)18-13(17-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyVIHNQEIQOXLMOR-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole (CID 134115858) is 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole is Fc1cc(Cl)c2nc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole?
The InChIKey is VIHNQEIQOXLMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-11-7-10(16)8-12-14(11)18-13(17-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole?
2-benzyl-4-chloro-6-fluoro-1H-benzimidazole has a molecular weight of 260.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 134115858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).