tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate

C26H29F6N3O3 — CID 10230780

IUPACtert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate
SMILESCN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1CNC(=O)OC(C)(C)C
InChIInChI=1S/C26H29F6N3O3/c1-23(2,3)38-22(36)33-13-21-34-24(15-35(21)4,18-8-6-5-7-9-18)16-37-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h5-12H,13-16H2,1-4H3,(H,33,36)/t24-/m1/s1
InChIKeySHLKXIDPTOPIHH-XMMPIXPASA-N
MW545.52 g/mol
LogP6.00
Rot. Bonds7

About tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate

tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate (PubChem CID 10230780) has the molecular formula C26H29F6N3O3 and a molecular weight of 545.52 g/mol. Its IUPAC name is tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate
PubChem CID10230780
Molecular FormulaC26H29F6N3O3
Molecular Weight545.52 g/mol
Exact Mass545.21
IUPAC Nametert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate
SMILESCN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1CNC(=O)OC(C)(C)C
InChIInChI=1S/C26H29F6N3O3/c1-23(2,3)38-22(36)33-13-21-34-24(15-35(21)4,18-8-6-5-7-9-18)16-37-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h5-12H,13-16H2,1-4H3,(H,33,36)/t24-/m1/s1
InChIKeySHLKXIDPTOPIHH-XMMPIXPASA-N
XLogP6.00
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide
CID 10116279
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2,3-dimethyl-5-phenyl-4H-imidazole
CID 10138379
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-5-phenyl-1,4-dihydroimidazole
CID 10158825
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-ethyl-3-methyl-5-phenyl-4H-imidazole
CID 10161546
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dimethyl-5-phenyl-4H-imidazole
CID 10224601
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 10274349
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-2-(trifluoromethyl)-1,4-dihydroimidazole
CID 22960747
Tert-butyl 4-[[2-amino-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]amino]piperidine-1-carboxylate
CID 22960797
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dimethyl-5-phenyl-1,4-dihydroimidazol-3-ium
CID 59058153
N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]-2,2,2-trifluoroacetamide
CID 59904856
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-2-propyl-4H-imidazole
CID 59904881
(5R)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-(4-fluorophenyl)-2,3-dimethyl-4H-imidazole
CID 59904882

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate (CID 10230780) is tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate is CN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate?
The InChIKey is SHLKXIDPTOPIHH-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29F6N3O3/c1-23(2,3)38-22(36)33-13-21-34-24(15-35(21)4,18-8-6-5-7-9-18)16-37-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h5-12H,13-16H2,1-4H3,(H,33,36)/t24-/m1/s1.
What are the key properties of tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate?
tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate has a molecular weight of 545.52 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 10230780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).