4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol

C18H25N3O — CID 176967150

IUPAC4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol
SMILESCC(C)c1ccc(-c2cnc(C3(O)CCNCC3)n2C)cc1
InChIInChI=1S/C18H25N3O/c1-13(2)14-4-6-15(7-5-14)16-12-20-17(21(16)3)18(22)8-10-19-11-9-18/h4-7,12-13,19,22H,8-11H2,1-3H3
InChIKeyRMDGMADASWTAQX-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.78
Rot. Bonds3

About 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol

4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol (PubChem CID 176967150) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol
PubChem CID176967150
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol
SMILESCC(C)c1ccc(-c2cnc(C3(O)CCNCC3)n2C)cc1
InChIInChI=1S/C18H25N3O/c1-13(2)14-4-6-15(7-5-14)16-12-20-17(21(16)3)18(22)8-10-19-11-9-18/h4-7,12-13,19,22H,8-11H2,1-3H3
InChIKeyRMDGMADASWTAQX-UHFFFAOYSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol?
The IUPAC name of 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol (CID 176967150) is 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol?
The canonical SMILES for 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol is CC(C)c1ccc(-c2cnc(C3(O)CCNCC3)n2C)cc1.
What is the InChIKey of 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol?
The InChIKey is RMDGMADASWTAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(2)14-4-6-15(7-5-14)16-12-20-17(21(16)3)18(22)8-10-19-11-9-18/h4-7,12-13,19,22H,8-11H2,1-3H3.
What are the key properties of 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol?
4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol has a molecular weight of 299.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 176967150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).