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

C20H26N4O4 — CID 10200160

IUPAC[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc([N+](=O)[O-])cc3)n2C)CC1
InChIInChI=1S/C20H26N4O4/c1-14(2)23-10-8-15(9-11-23)13-28-20-21-12-18(22(20)3)19(25)16-4-6-17(7-5-16)24(26)27/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyBGFQEWIJVNQLQQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.06
Rot. Bonds7

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

[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone (PubChem CID 10200160) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone
PubChem CID10200160
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3ccc([N+](=O)[O-])cc3)n2C)CC1
InChIInChI=1S/C20H26N4O4/c1-14(2)23-10-8-15(9-11-23)13-28-20-21-12-18(22(20)3)19(25)16-4-6-17(7-5-16)24(26)27/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyBGFQEWIJVNQLQQ-UHFFFAOYSA-N
XLogP3.06
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

2-Imidazol-1-yl-1-(4-nitrophenyl)ethanone
CID 53600
(4-fluorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10155386
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(4-(trifluoromethyl)phenyl)methanone
CID 10201558
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
(4-isopropylphenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11653860
1-[2-(4-Nitro-phenyl)-2-oxo-ethyl]-3-phenyl-3H-imidazol-1-ium
CID 23724336
2-(2-Methylimidazol-1-yl)-1-(4-nitrophenyl)ethanone
CID 10377204
2-(3-Benzylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide
CID 16193006
2-(4-Methylimidazol-1-yl)-1-(4-nitrophenyl)ethanone
CID 57381535
3-Imidazol-1-yl-1-(4-nitrophenyl)propan-1-one
CID 164617915
1-(4-Nitrophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797805
2-(5-Methylimidazol-1-yl)-1-(4-nitrophenyl)ethanone
CID 57381746

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone (CID 10200160) is [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone is CC(C)N1CCC(COc2ncc(C(=O)c3ccc([N+](=O)[O-])cc3)n2C)CC1.
What is the InChIKey of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone?
The InChIKey is BGFQEWIJVNQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14(2)23-10-8-15(9-11-23)13-28-20-21-12-18(22(20)3)19(25)16-4-6-17(7-5-16)24(26)27/h4-7,12,14-15H,8-11,13H2,1-3H3.
What are the key properties of [3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone?
[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]-(4-nitrophenyl)methanone has a molecular weight of 386.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-nitrophenyl)methanone is sourced from PubChem (CID 10200160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).