4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole

C15H20F2N2 — CID 112556805

IUPAC4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole
SMILESCC(Cc1nc2c(F)c(F)ccc2[nH]1)CC(C)(C)C
InChIInChI=1S/C15H20F2N2/c1-9(8-15(2,3)4)7-12-18-11-6-5-10(16)13(17)14(11)19-12/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyGZLHBZNZYSAKFX-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.46
Rot. Bonds3

About 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole

4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole (PubChem CID 112556805) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole
PubChem CID112556805
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole
SMILESCC(Cc1nc2c(F)c(F)ccc2[nH]1)CC(C)(C)C
InChIInChI=1S/C15H20F2N2/c1-9(8-15(2,3)4)7-12-18-11-6-5-10(16)13(17)14(11)19-12/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyGZLHBZNZYSAKFX-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole?
The IUPAC name of 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole (CID 112556805) is 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole.
What is the SMILES notation for 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole?
The canonical SMILES for 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole is CC(Cc1nc2c(F)c(F)ccc2[nH]1)CC(C)(C)C.
What is the InChIKey of 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole?
The InChIKey is GZLHBZNZYSAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-9(8-15(2,3)4)7-12-18-11-6-5-10(16)13(17)14(11)19-12/h5-6,9H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole?
4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole has a molecular weight of 266.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole is sourced from PubChem (CID 112556805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).