2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole

C14H17F3N2 — CID 164713884

IUPAC2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
SMILESCC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H17F3N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4/h5-8H,1-4H3,(H,18,19)
InChIKeyCKWMWYNRPZRMBS-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.83
Rot. Bonds2

About 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole

2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 164713884) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID164713884
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
SMILESCC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H17F3N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4/h5-8H,1-4H3,(H,18,19)
InChIKeyCKWMWYNRPZRMBS-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole (CID 164713884) is 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole is CC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is CKWMWYNRPZRMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4/h5-8H,1-4H3,(H,18,19).
What are the key properties of 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole?
2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 270.30 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 164713884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).