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

C20H26BrN3O2 — CID 10295613

IUPAC(4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1
InChIInChI=1S/C20H26BrN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyIWQZHRNOIZTBSF-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.91
Rot. Bonds6

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

(4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone (PubChem CID 10295613) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
PubChem CID10295613
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name(4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1
InChIInChI=1S/C20H26BrN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyIWQZHRNOIZTBSF-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

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-(trifluoromethyl)phenyl)methanone
CID 10201558
(3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10292893
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
(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-isopropylphenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11653860
(4-chlorophenyl)(2-(2-(1-isopropylpiperidin-4-yl)ethoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 44571276

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone (CID 10295613) is (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone is CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1.
What is the InChIKey of (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The InChIKey is IWQZHRNOIZTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3.
What are the key properties of (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
(4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone has a molecular weight of 420.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone is sourced from PubChem (CID 10295613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).