[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide

C21H18F6N4O — CID 10226225

IUPAC[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide
SMILESC[C@@H](OC[C@@]1(c2ccccc2)CN=C(NC#N)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F6N4O/c1-13(14-7-16(20(22,23)24)9-17(8-14)21(25,26)27)32-11-19(15-5-3-2-4-6-15)10-29-18(31-19)30-12-28/h2-9,13H,10-11H2,1H3,(H2,29,30,31)/t13-,19-/m1/s1
InChIKeyQMTLKKCQJIJVAR-BFUOFWGJSA-N
MW456.39 g/mol
LogP4.73
Rot. Bonds5

About [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide

[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide (PubChem CID 10226225) has the molecular formula C21H18F6N4O and a molecular weight of 456.39 g/mol. Its IUPAC name is [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide.

Molecular Properties

Compound Name[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide
PubChem CID10226225
Molecular FormulaC21H18F6N4O
Molecular Weight456.39 g/mol
Exact Mass456.14
IUPAC Name[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide
SMILESC[C@@H](OC[C@@]1(c2ccccc2)CN=C(NC#N)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F6N4O/c1-13(14-7-16(20(22,23)24)9-17(8-14)21(25,26)27)32-11-19(15-5-3-2-4-6-15)10-29-18(31-19)30-12-28/h2-9,13H,10-11H2,1H3,(H2,29,30,31)/t13-,19-/m1/s1
InChIKeyQMTLKKCQJIJVAR-BFUOFWGJSA-N
XLogP4.73
TPSA69.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 10296442
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)-4,5-dihydrooxazol-2-amine
CID 52940937
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-methyl-4-phenylimidazolidin-2-one
CID 44407938
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-(4-fluorophenyl)imidazolidin-2-one
CID 44408107
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-1-methylimidazolidin-2-one
CID 10115747
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)imidazolidin-2-one
CID 10204249
(R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-phenylimidazolidin-2-one
CID 10295489
(S)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 44407890
(R)-4-(((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-phenylimidazolidin-2-one
CID 44407896
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-ethyl-4-phenylimidazolidin-2-one
CID 44407939
(R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-isopropyl-4-phenylimidazolidin-2-one
CID 44408100
4-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylimidazolidin-2-one
CID 10180275

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide?
The IUPAC name of [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide (CID 10226225) is [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide.
What is the SMILES notation for [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide?
The canonical SMILES for [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide is C[C@@H](OC[C@@]1(c2ccccc2)CN=C(NC#N)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide?
The InChIKey is QMTLKKCQJIJVAR-BFUOFWGJSA-N. The full InChI is InChI=1S/C21H18F6N4O/c1-13(14-7-16(20(22,23)24)9-17(8-14)21(25,26)27)32-11-19(15-5-3-2-4-6-15)10-29-18(31-19)30-12-28/h2-9,13H,10-11H2,1H3,(H2,29,30,31)/t13-,19-/m1/s1.
What are the key properties of [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide?
[(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide has a molecular weight of 456.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenyl-1,4-dihydroimidazol-2-yl]cyanamide is sourced from PubChem (CID 10226225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).