N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide

C25H26F3N3O3 — CID 92699003

IUPACN-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(CN2C(=O)[C@](NC(=O)C3CCCCC3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C25H26F3N3O3/c1-34-20-14-12-17(13-15-20)16-31-21(18-8-4-2-5-9-18)29-24(23(31)33,25(26,27)28)30-22(32)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyTVRIAECWKZVCDF-DEOSSOPVSA-N
MW473.50 g/mol
LogP4.44
Rot. Bonds6

About N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide

N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide (PubChem CID 92699003) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide
PubChem CID92699003
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC NameN-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(CN2C(=O)[C@](NC(=O)C3CCCCC3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C25H26F3N3O3/c1-34-20-14-12-17(13-15-20)16-31-21(18-8-4-2-5-9-18)29-24(23(31)33,25(26,27)28)30-22(32)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyTVRIAECWKZVCDF-DEOSSOPVSA-N
XLogP4.44
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide (CID 92699003) is N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide is COc1ccc(CN2C(=O)[C@](NC(=O)C3CCCCC3)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide?
The InChIKey is TVRIAECWKZVCDF-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-34-20-14-12-17(13-15-20)16-31-21(18-8-4-2-5-9-18)29-24(23(31)33,25(26,27)28)30-22(32)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3,(H,30,32)/t24-/m0/s1.
What are the key properties of N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide?
N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 92699003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).