4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C35H46F3N7O2 — CID 143970558

IUPAC4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCC(CCC1(C)N=C(c2cccc(C(F)(F)F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(C)(C)C
InChIInChI=1S/C35H46F3N7O2/c1-22(33(5,6)7)16-19-34(8)40-29(25-10-9-11-26(20-25)35(36,37)38)31(47)45(34)27(17-18-32(2,3)4)23-12-14-24(15-13-23)30(46)39-21-28-41-43-44-42-28/h9-15,20,22,27H,16-19,21H2,1-8H3,(H,39,46)(H,41,42,43,44)/t22?,27-,34?/m1/s1
InChIKeyDQGTZGFXRZDUOZ-RPKBENTGSA-N
MW653.79 g/mol
LogP7.53
Rot. Bonds11

About 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 143970558) has the molecular formula C35H46F3N7O2 and a molecular weight of 653.79 g/mol. Its IUPAC name is 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID143970558
Molecular FormulaC35H46F3N7O2
Molecular Weight653.79 g/mol
Exact Mass653.37
IUPAC Name4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCC(CCC1(C)N=C(c2cccc(C(F)(F)F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(C)(C)C
InChIInChI=1S/C35H46F3N7O2/c1-22(33(5,6)7)16-19-34(8)40-29(25-10-9-11-26(20-25)35(36,37)38)31(47)45(34)27(17-18-32(2,3)4)23-12-14-24(15-13-23)30(46)39-21-28-41-43-44-42-28/h9-15,20,22,27H,16-19,21H2,1-8H3,(H,39,46)(H,41,42,43,44)/t22?,27-,34?/m1/s1
InChIKeyDQGTZGFXRZDUOZ-RPKBENTGSA-N
XLogP7.53
TPSA116.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide with MolForge

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Related Compounds

N-[2-(aminodiazenyl)-2-iminoethyl]-4-[4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]benzamide
CID 91055585
4-[(1R)-1-[8-tert-butyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353815
3-[[4-[1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]propan-2-yl]benzoyl]amino]propanoic acid
CID 70900259
4-[(1R)-1-[8-tert-butyl-3-oxo-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 89368026
4-[1-[2-(4-fluorophenyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 91223921
4-[(1R)-4,4-dimethyl-1-[8-(1-methylcyclopropyl)-2-[3-(4-methylpentoxy)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469055
4-[(1R)-1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 71202697
4-[(1R)-4,4-dimethyl-1-[3-oxo-8-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353599
4-[(1S)-1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469446
4-[(1R)-1-[2-(3,5-difluorophenyl)-3-oxo-8-propyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469625
4-[(1R)-1-[8-tert-butyl-2-(4-cyclopropylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353128
4-[(1R)-1-[8-tert-butyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353468

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 143970558) is 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CC(CCC1(C)N=C(c2cccc(C(F)(F)F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(C)(C)C.
What is the InChIKey of 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is DQGTZGFXRZDUOZ-RPKBENTGSA-N. The full InChI is InChI=1S/C35H46F3N7O2/c1-22(33(5,6)7)16-19-34(8)40-29(25-10-9-11-26(20-25)35(36,37)38)31(47)45(34)27(17-18-32(2,3)4)23-12-14-24(15-13-23)30(46)39-21-28-41-43-44-42-28/h9-15,20,22,27H,16-19,21H2,1-8H3,(H,39,46)(H,41,42,43,44)/t22?,27-,34?/m1/s1.
What are the key properties of 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 653.79 g/mol, XLogP of 7.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-4,4-dimethyl-1-[2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-2-(3,4,4-trimethylpentyl)imidazol-1-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 143970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).