methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate

C23H28F3N3O3 — CID 121281386

IUPACmethyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCc1ncc(C(=O)NCC2CCC(C(=O)OC)CC2)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O3/c1-3-20-27-13-19(29(20)14-16-6-10-18(11-7-16)23(24,25)26)21(30)28-12-15-4-8-17(9-5-15)22(31)32-2/h6-7,10-11,13,15,17H,3-5,8-9,12,14H2,1-2H3,(H,28,30)
InChIKeyTXKZVJYHWCBOPI-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.22
Rot. Bonds7

About methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate

methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 121281386) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID121281386
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Namemethyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCc1ncc(C(=O)NCC2CCC(C(=O)OC)CC2)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O3/c1-3-20-27-13-19(29(20)14-16-6-10-18(11-7-16)23(24,25)26)21(30)28-12-15-4-8-17(9-5-15)22(31)32-2/h6-7,10-11,13,15,17H,3-5,8-9,12,14H2,1-2H3,(H,28,30)
InChIKeyTXKZVJYHWCBOPI-UHFFFAOYSA-N
XLogP4.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[[[2-chloro-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 121281506
methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 155402700
2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 144757135
1-(2-fluoroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-[[[1-(2-fluoroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 167610348
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
methyl 4-[[[2-chloro-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[(4-methylphenyl)methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 121281402
methyl 4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 163586952
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
2-chloro-5-(3-hydroxy-3-methylbut-1-ynyl)-N-[[4-(2H-tetrazol-5-yl)cyclohexyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 121281403
methyl 4-[[[1-[(5-phenyl-2-pyridinyl)methyl]-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58306980
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate (CID 121281386) is methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate is CCc1ncc(C(=O)NCC2CCC(C(=O)OC)CC2)n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is TXKZVJYHWCBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-3-20-27-13-19(29(20)14-16-6-10-18(11-7-16)23(24,25)26)21(30)28-12-15-4-8-17(9-5-15)22(31)32-2/h6-7,10-11,13,15,17H,3-5,8-9,12,14H2,1-2H3,(H,28,30).
What are the key properties of methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 451.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 121281386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).