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

C20H19F6N3O — CID 10274349

IUPAC(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
SMILESCN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1N
InChIInChI=1S/C20H19F6N3O/c1-29-11-18(28-17(29)27,14-5-3-2-4-6-14)12-30-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H2,27,28)/t18-/m1/s1
InChIKeyKRXQLRCFGGJCPS-GOSISDBHSA-N
MW431.38 g/mol
LogP4.40
Rot. Bonds5

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

(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine (PubChem CID 10274349) has the molecular formula C20H19F6N3O and a molecular weight of 431.38 g/mol. Its IUPAC name is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
PubChem CID10274349
Molecular FormulaC20H19F6N3O
Molecular Weight431.38 g/mol
Exact Mass431.14
IUPAC Name(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
SMILESCN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1N
InChIInChI=1S/C20H19F6N3O/c1-29-11-18(28-17(29)27,14-5-3-2-4-6-14)12-30-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H2,27,28)/t18-/m1/s1
InChIKeyKRXQLRCFGGJCPS-GOSISDBHSA-N
XLogP4.40
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine?
The IUPAC name of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine (CID 10274349) is (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine.
What is the SMILES notation for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine?
The canonical SMILES for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine is CN1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N=C1N.
What is the InChIKey of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine?
The InChIKey is KRXQLRCFGGJCPS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19F6N3O/c1-29-11-18(28-17(29)27,14-5-3-2-4-6-14)12-30-10-13-7-15(19(21,22)23)9-16(8-13)20(24,25)26/h2-9H,10-12H2,1H3,(H2,27,28)/t18-/m1/s1.
What are the key properties of (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine?
(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine has a molecular weight of 431.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-5-phenyl-4H-imidazol-2-amine is sourced from PubChem (CID 10274349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).