3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide

C34H37F3N4O4 — CID 118030427

IUPAC3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1
InChIInChI=1S/C34H37F3N4O4/c1-32(2,31(42)40(5)19-27-21-44-33(3,4)45-27)22-43-26-14-11-24(12-15-26)28-16-13-25(17-38-28)30-39-29(34(35,36)37)20-41(30)18-23-9-7-6-8-10-23/h6-17,20,27H,18-19,21-22H2,1-5H3
InChIKeyJHOXKNLNQKJZIB-UHFFFAOYSA-N
MW622.69 g/mol
LogP6.69
Rot. Bonds10

About 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide

3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 118030427) has the molecular formula C34H37F3N4O4 and a molecular weight of 622.69 g/mol. Its IUPAC name is 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID118030427
Molecular FormulaC34H37F3N4O4
Molecular Weight622.69 g/mol
Exact Mass622.28
IUPAC Name3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1
InChIInChI=1S/C34H37F3N4O4/c1-32(2,31(42)40(5)19-27-21-44-33(3,4)45-27)22-43-26-14-11-24(12-15-26)28-16-13-25(17-38-28)30-39-29(34(35,36)37)20-41(30)18-23-9-7-6-8-10-23/h6-17,20,27H,18-19,21-22H2,1-5H3
InChIKeyJHOXKNLNQKJZIB-UHFFFAOYSA-N
XLogP6.69
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.69
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide (CID 118030427) is 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide is CN(CC1COC(C)(C)O1)C(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cn2)cc1.
What is the InChIKey of 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is JHOXKNLNQKJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O4/c1-32(2,31(42)40(5)19-27-21-44-33(3,4)45-27)22-43-26-14-11-24(12-15-26)28-16-13-25(17-38-28)30-39-29(34(35,36)37)20-41(30)18-23-9-7-6-8-10-23/h6-17,20,27H,18-19,21-22H2,1-5H3.
What are the key properties of 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide?
3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 622.69 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[1-benzyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 118030427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).