5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H30F3N5O — CID 134299194

IUPAC5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H30F3N5O/c1-14(2)21-28-19(15-11-18(22(23,24)25)20(26)27-12-15)13-30(21)17-5-3-16(4-6-17)29-7-9-31-10-8-29/h11-14,16-17H,3-10H2,1-2H3,(H2,26,27)
InChIKeyUDZDKTUDWNKXJW-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.49
Rot. Bonds4

About 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134299194) has the molecular formula C22H30F3N5O and a molecular weight of 437.51 g/mol. Its IUPAC name is 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134299194
Molecular FormulaC22H30F3N5O
Molecular Weight437.51 g/mol
Exact Mass437.24
IUPAC Name5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C22H30F3N5O/c1-14(2)21-28-19(15-11-18(22(23,24)25)20(26)27-12-15)13-30(21)17-5-3-16(4-6-17)29-7-9-31-10-8-29/h11-14,16-17H,3-10H2,1-2H3,(H2,26,27)
InChIKeyUDZDKTUDWNKXJW-UHFFFAOYSA-N
XLogP4.49
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134299194) is 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UDZDKTUDWNKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O/c1-14(2)21-28-19(15-11-18(22(23,24)25)20(26)27-12-15)13-30(21)17-5-3-16(4-6-17)29-7-9-31-10-8-29/h11-14,16-17H,3-10H2,1-2H3,(H2,26,27).
What are the key properties of 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 437.51 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134299194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).