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

C26H27F3N4 — CID 130367985

IUPAC(2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole
SMILESCc1c(N2c3ccccc3N(C)[C@H]2C)cc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C26H27F3N4/c1-16-24(32-17(2)30(4)20-10-6-8-12-22(20)32)14-19(26(27,28)29)15-25(16)33-18(3)31(5)21-11-7-9-13-23(21)33/h6-15,17-18H,1-5H3/t17-,18+
InChIKeyGOJQIEJHFTUHIH-HDICACEKSA-N
MW452.52 g/mol
LogP6.88
Rot. Bonds2

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

(2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole (PubChem CID 130367985) has the molecular formula C26H27F3N4 and a molecular weight of 452.52 g/mol. Its IUPAC name is (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name(2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole
PubChem CID130367985
Molecular FormulaC26H27F3N4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name(2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole
SMILESCc1c(N2c3ccccc3N(C)[C@H]2C)cc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C26H27F3N4/c1-16-24(32-17(2)30(4)20-10-6-8-12-22(20)32)14-19(26(27,28)29)15-25(16)33-18(3)31(5)21-11-7-9-13-23(21)33/h6-15,17-18H,1-5H3/t17-,18+
InChIKeyGOJQIEJHFTUHIH-HDICACEKSA-N
XLogP6.88
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole?
The IUPAC name of (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole (CID 130367985) is (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole?
The canonical SMILES for (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole is Cc1c(N2c3ccccc3N(C)[C@H]2C)cc(C(F)(F)F)cc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole?
The InChIKey is GOJQIEJHFTUHIH-HDICACEKSA-N. The full InChI is InChI=1S/C26H27F3N4/c1-16-24(32-17(2)30(4)20-10-6-8-12-22(20)32)14-19(26(27,28)29)15-25(16)33-18(3)31(5)21-11-7-9-13-23(21)33/h6-15,17-18H,1-5H3/t17-,18+.
What are the key properties of (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole?
(2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole has a molecular weight of 452.52 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-5-(trifluoromethyl)phenyl]-2,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 130367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).