[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

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Related Compounds

(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
(2-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 9951566
(4-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-3-methyl-3H-imidazol-4-yl)methanone
CID 10134089
(4-fluorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10155386
(3,5-dichlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10179744
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(4-nitrophenyl)methanone
CID 10200160
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(4-(trifluoromethyl)phenyl)methanone
CID 10201558
(3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10292893
(4-bromophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10295613
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-yloxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11545034
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propoxy)-1H-imidazol-5-yl)methanone
CID 11574091
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylamino)-1H-imidazol-5-yl)methanone
CID 11602952

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).