N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide

C24H24F3N3O4 — CID 51505670

IUPACN-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CCN2C(=O)[C@@](NC(=O)C3CC3)(C(F)(F)F)N=C2c2ccccc2)cc1OC
InChIInChI=1S/C24H24F3N3O4/c1-33-18-11-8-15(14-19(18)34-2)12-13-30-20(16-6-4-3-5-7-16)28-23(22(30)32,24(25,26)27)29-21(31)17-9-10-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,29,31)/t23-/m1/s1
InChIKeyWWJGAPRRTBKXPZ-HSZRJFAPSA-N
MW475.47 g/mol
LogP3.32
Rot. Bonds8

About N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide

N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (PubChem CID 51505670) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
PubChem CID51505670
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC NameN-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CCN2C(=O)[C@@](NC(=O)C3CC3)(C(F)(F)F)N=C2c2ccccc2)cc1OC
InChIInChI=1S/C24H24F3N3O4/c1-33-18-11-8-15(14-19(18)34-2)12-13-30-20(16-6-4-3-5-7-16)28-23(22(30)32,24(25,26)27)29-21(31)17-9-10-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,29,31)/t23-/m1/s1
InChIKeyWWJGAPRRTBKXPZ-HSZRJFAPSA-N
XLogP3.32
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,5-dioxo-4-trifluoromethyl-imidazolidin-4-yl}-3-methyl-butyramide
CID 3651967
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide
CID 90285136
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 90294431
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(3,4-difluorophenyl)methyl]propanamide
CID 118576102
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 118576345
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[(3,4-dimethoxyphenyl)methyl]-4-methylpentanamide
CID 118583234
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3-phenylpropanamide
CID 2969817
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 16193705
(2R)-2-[[amino-[3-(3,4-dimethoxyphenyl)propanoylamino]methylidene]amino]-3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide
CID 90285111
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 90285126
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 90285891
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
CID 90285902

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (CID 51505670) is N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is COc1ccc(CCN2C(=O)[C@@](NC(=O)C3CC3)(C(F)(F)F)N=C2c2ccccc2)cc1OC.
What is the InChIKey of N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The InChIKey is WWJGAPRRTBKXPZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-33-18-11-8-15(14-19(18)34-2)12-13-30-20(16-6-4-3-5-7-16)28-23(22(30)32,24(25,26)27)29-21(31)17-9-10-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,29,31)/t23-/m1/s1.
What are the key properties of N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51505670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).