2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole

C15H12F2N2 — CID 81463194

IUPAC2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCCc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H12F2N2/c1-2-9-3-5-10(6-4-9)15-18-13-8-11(16)7-12(17)14(13)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyPERWGRFVFUCWMR-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole

2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463194) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463194
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCCc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H12F2N2/c1-2-9-3-5-10(6-4-9)15-18-13-8-11(16)7-12(17)14(13)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyPERWGRFVFUCWMR-UHFFFAOYSA-N
XLogP4.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole (CID 81463194) is 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole is CCc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is PERWGRFVFUCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-2-9-3-5-10(6-4-9)15-18-13-8-11(16)7-12(17)14(13)19-15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole?
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 258.27 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).