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

C22H21F6N3O2 — CID 10116279

IUPACN-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C22H21F6N3O2/c1-14(32)29-19-30-20(12-31(19)2,16-6-4-3-5-7-16)13-33-11-15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10H,11-13H2,1-2H3,(H,29,30,32)/t20-/m1/s1
InChIKeyAPDBYCHQSHMPJE-HXUWFJFHSA-N
MW473.42 g/mol
LogP4.57
Rot. Bonds5

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

N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide (PubChem CID 10116279) has the molecular formula C22H21F6N3O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide
PubChem CID10116279
Molecular FormulaC22H21F6N3O2
Molecular Weight473.42 g/mol
Exact Mass473.15
IUPAC NameN-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide
SMILESCC(=O)NC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C
InChIInChI=1S/C22H21F6N3O2/c1-14(32)29-19-30-20(12-31(19)2,16-6-4-3-5-7-16)13-33-11-15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10H,11-13H2,1-2H3,(H,29,30,32)/t20-/m1/s1
InChIKeyAPDBYCHQSHMPJE-HXUWFJFHSA-N
XLogP4.57
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide?
The IUPAC name of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide (CID 10116279) is N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide is CC(=O)NC1=N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1C.
What is the InChIKey of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide?
The InChIKey is APDBYCHQSHMPJE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21F6N3O2/c1-14(32)29-19-30-20(12-31(19)2,16-6-4-3-5-7-16)13-33-11-15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10H,11-13H2,1-2H3,(H,29,30,32)/t20-/m1/s1.
What are the key properties of N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide?
N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide has a molecular weight of 473.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-yl]acetamide is sourced from PubChem (CID 10116279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).