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

C23H33N3O2 — CID 11653860

IUPAC[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cnc(OCC3CCN(C(C)C)CC3)n2C)cc1
InChIInChI=1S/C23H33N3O2/c1-16(2)19-6-8-20(9-7-19)22(27)21-14-24-23(25(21)5)28-15-18-10-12-26(13-11-18)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3
InChIKeyMGOONGLDZKMQMT-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.27
Rot. Bonds7

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

[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 11653860) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID11653860
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cnc(OCC3CCN(C(C)C)CC3)n2C)cc1
InChIInChI=1S/C23H33N3O2/c1-16(2)19-6-8-20(9-7-19)22(27)21-14-24-23(25(21)5)28-15-18-10-12-26(13-11-18)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3
InChIKeyMGOONGLDZKMQMT-UHFFFAOYSA-N
XLogP4.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.27
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-propan-2-ylphenyl)methanone?
The IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone (CID 11653860) is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2cnc(OCC3CCN(C(C)C)CC3)n2C)cc1.
What is the InChIKey of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is MGOONGLDZKMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16(2)19-6-8-20(9-7-19)22(27)21-14-24-23(25(21)5)28-15-18-10-12-26(13-11-18)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3.
What are the key properties of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone?
[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 383.54 g/mol, XLogP of 4.27, 7 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-propan-2-ylphenyl)methanone is sourced from PubChem (CID 11653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).