4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine

C30H31F3N4 — CID 90337458

IUPAC4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESC[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CCCCC3)n2C)ccn1)c1ccccc1
InChIInChI=1S/C30H31F3N4/c1-20(21-10-5-3-6-11-21)35-26-19-24(16-17-34-26)28-27(23-14-9-15-25(18-23)30(31,32)33)36-29(37(28)2)22-12-7-4-8-13-22/h3,5-6,9-11,14-20,22H,4,7-8,12-13H2,1-2H3,(H,34,35)/t20-/m0/s1
InChIKeyQFJNJXKPVIHJDL-FQEVSTJZSA-N
MW504.60 g/mol
LogP8.39
Rot. Bonds6

About 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine

4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine (PubChem CID 90337458) has the molecular formula C30H31F3N4 and a molecular weight of 504.60 g/mol. Its IUPAC name is 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
PubChem CID90337458
Molecular FormulaC30H31F3N4
Molecular Weight504.60 g/mol
Exact Mass504.25
IUPAC Name4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESC[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CCCCC3)n2C)ccn1)c1ccccc1
InChIInChI=1S/C30H31F3N4/c1-20(21-10-5-3-6-11-21)35-26-19-24(16-17-34-26)28-27(23-14-9-15-25(18-23)30(31,32)33)36-29(37(28)2)22-12-7-4-8-13-22/h3,5-6,9-11,14-20,22H,4,7-8,12-13H2,1-2H3,(H,34,35)/t20-/m0/s1
InChIKeyQFJNJXKPVIHJDL-FQEVSTJZSA-N
XLogP8.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine (CID 90337458) is 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is C[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CCCCC3)n2C)ccn1)c1ccccc1.
What is the InChIKey of 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The InChIKey is QFJNJXKPVIHJDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H31F3N4/c1-20(21-10-5-3-6-11-21)35-26-19-24(16-17-34-26)28-27(23-14-9-15-25(18-23)30(31,32)33)36-29(37(28)2)22-12-7-4-8-13-22/h3,5-6,9-11,14-20,22H,4,7-8,12-13H2,1-2H3,(H,34,35)/t20-/m0/s1.
What are the key properties of 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine has a molecular weight of 504.60 g/mol, XLogP of 8.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexyl-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 90337458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).