[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C21H26F3N3O2 — CID 10201558

IUPAC[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)n2C)CC1
InChIInChI=1S/C21H26F3N3O2/c1-14(2)27-10-8-15(9-11-27)13-29-20-25-12-18(26(20)3)19(28)16-4-6-17(7-5-16)21(22,23)24/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyCMHKSEIZGYFMOI-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.17
Rot. Bonds6

About [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 10201558) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID10201558
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)n2C)CC1
InChIInChI=1S/C21H26F3N3O2/c1-14(2)27-10-8-15(9-11-27)13-29-20-25-12-18(26(20)3)19(28)16-4-6-17(7-5-16)21(22,23)24/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyCMHKSEIZGYFMOI-UHFFFAOYSA-N
XLogP4.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 10201558) is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone is CC(C)N1CCC(COc2ncc(C(=O)c3ccc(C(F)(F)F)cc3)n2C)CC1.
What is the InChIKey of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CMHKSEIZGYFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-14(2)27-10-8-15(9-11-27)13-29-20-25-12-18(26(20)3)19(28)16-4-6-17(7-5-16)21(22,23)24/h4-7,12,14-15H,8-11,13H2,1-3H3.
What are the key properties of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 409.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 10201558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).