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

C20H27N3O2 — CID 44571277

IUPAC[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)23-11-9-16(10-12-23)14-25-20-21-13-18(22(20)3)19(24)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyYRARSLSMZOUVKP-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.15
Rot. Bonds6

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

[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone (PubChem CID 44571277) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone
PubChem CID44571277
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(2)23-11-9-16(10-12-23)14-25-20-21-13-18(22(20)3)19(24)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyYRARSLSMZOUVKP-UHFFFAOYSA-N
XLogP3.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone?
The IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone (CID 44571277) is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone is CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1.
What is the InChIKey of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone?
The InChIKey is YRARSLSMZOUVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)23-11-9-16(10-12-23)14-25-20-21-13-18(22(20)3)19(24)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3.
What are the key properties of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone?
[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-phenylmethanone has a molecular weight of 341.46 g/mol, XLogP of 3.15, 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]-phenylmethanone is sourced from PubChem (CID 44571277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).