(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole

C17H17F3N2 — CID 118069485

IUPAC(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole
SMILESCc1ccc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C17H17F3N2/c1-11-8-9-13(17(18,19)20)10-16(11)22-12(2)21(3)14-6-4-5-7-15(14)22/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyRJYCCYVKHKFZRI-LBPRGKRZSA-N
MW306.33 g/mol
LogP4.95
Rot. Bonds1

About (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole

(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole (PubChem CID 118069485) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole
PubChem CID118069485
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole
SMILESCc1ccc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C17H17F3N2/c1-11-8-9-13(17(18,19)20)10-16(11)22-12(2)21(3)14-6-4-5-7-15(14)22/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyRJYCCYVKHKFZRI-LBPRGKRZSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole?
The IUPAC name of (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole (CID 118069485) is (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole.
What is the SMILES notation for (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole?
The canonical SMILES for (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole is Cc1ccc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole?
The InChIKey is RJYCCYVKHKFZRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-11-8-9-13(17(18,19)20)10-16(11)22-12(2)21(3)14-6-4-5-7-15(14)22/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole?
(2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole has a molecular weight of 306.33 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-2H-benzimidazole is sourced from PubChem (CID 118069485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).