(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

C27H24F3N3O2 — CID 118128230

IUPAC(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C27H24F3N3O2/c1-17-9-11-20(18-7-4-3-5-8-18)21(15-17)24(34)33-14-6-13-26(33,2)25-31-22-12-10-19(16-23(22)32-25)35-27(28,29)30/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,31,32)/t26-/m0/s1
InChIKeyZYTJMFQVNVHMRD-SANMLTNESA-N
MW479.50 g/mol
LogP6.59
Rot. Bonds4

About (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 118128230) has the molecular formula C27H24F3N3O2 and a molecular weight of 479.50 g/mol. Its IUPAC name is (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID118128230
Molecular FormulaC27H24F3N3O2
Molecular Weight479.50 g/mol
Exact Mass479.18
IUPAC Name(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C27H24F3N3O2/c1-17-9-11-20(18-7-4-3-5-8-18)21(15-17)24(34)33-14-6-13-26(33,2)25-31-22-12-10-19(16-23(22)32-25)35-27(28,29)30/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,31,32)/t26-/m0/s1
InChIKeyZYTJMFQVNVHMRD-SANMLTNESA-N
XLogP6.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone (CID 118128230) is (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone is Cc1ccc(-c2ccccc2)c(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZYTJMFQVNVHMRD-SANMLTNESA-N. The full InChI is InChI=1S/C27H24F3N3O2/c1-17-9-11-20(18-7-4-3-5-8-18)21(15-17)24(34)33-14-6-13-26(33,2)25-31-22-12-10-19(16-23(22)32-25)35-27(28,29)30/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,31,32)/t26-/m0/s1.
What are the key properties of (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone?
(5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 479.50 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118128230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).