5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole

C15H12F2N2 — CID 60978368

IUPAC5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
SMILESFc1cc2nc(CCc3ccccc3)[nH]c2cc1F
InChIInChI=1S/C15H12F2N2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyMWILBPKCCUANEM-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.63
Rot. Bonds3

About 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole

5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole (PubChem CID 60978368) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
PubChem CID60978368
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
SMILESFc1cc2nc(CCc3ccccc3)[nH]c2cc1F
InChIInChI=1S/C15H12F2N2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyMWILBPKCCUANEM-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole (CID 60978368) is 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole is Fc1cc2nc(CCc3ccccc3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole?
The InChIKey is MWILBPKCCUANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole?
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole has a molecular weight of 258.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole is sourced from PubChem (CID 60978368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).