sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole

C60H64Br2ClN8NaO6 — CID 159152492

IUPACsodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole
SMILESCOc1cc(N2CCC(N(C)C(=O)Cl)CC2)ccc1Br.COc1cc(N2CCC(N(C)C(=O)n3cnc(-c4cccc(OCc5ccccc5)c4)c3)CC2)ccc1Br.[H-].[Na+].c1ccc(COc2cccc(-c3cnc[nH]3)c2)cc1
InChIInChI=1S/C30H31BrN4O3.C16H14N2O.C14H18BrClN2O2.Na.H/c1-33(24-13-15-34(16-14-24)25-11-12-27(31)29(18-25)37-2)30(36)35-19-28(32-21-35)23-9-6-10-26(17-23)38-20-22-7-4-3-5-8-22;1-2-5-13(6-3-1)11-19-15-8-4-7-14(9-15)16-10-17-12-18-16;1-17(14(16)19)10-5-7-18(8-6-10)11-3-4-12(15)13(9-11)20-2;;/h3-12,17-19,21,24H,13-16,20H2,1-2H3;1-10,12H,11H2,(H,17,18);3-4,9-10H,5-8H2,1-2H3;;/q;;;+1;-1
InChIKeyZLFSIXMXAPEUSU-UHFFFAOYSA-N
MW1211.47 g/mol
LogP10.96
Rot. Bonds14

About sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole

sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole (PubChem CID 159152492) has the molecular formula C60H64Br2ClN8NaO6 and a molecular weight of 1211.47 g/mol. Its IUPAC name is sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Namesodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole
PubChem CID159152492
Molecular FormulaC60H64Br2ClN8NaO6
Molecular Weight1211.47 g/mol
Exact Mass1208.29
IUPAC Namesodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole
SMILESCOc1cc(N2CCC(N(C)C(=O)Cl)CC2)ccc1Br.COc1cc(N2CCC(N(C)C(=O)n3cnc(-c4cccc(OCc5ccccc5)c4)c3)CC2)ccc1Br.[H-].[Na+].c1ccc(COc2cccc(-c3cnc[nH]3)c2)cc1
InChIInChI=1S/C30H31BrN4O3.C16H14N2O.C14H18BrClN2O2.Na.H/c1-33(24-13-15-34(16-14-24)25-11-12-27(31)29(18-25)37-2)30(36)35-19-28(32-21-35)23-9-6-10-26(17-23)38-20-22-7-4-3-5-8-22;1-2-5-13(6-3-1)11-19-15-8-4-7-14(9-15)16-10-17-12-18-16;1-17(14(16)19)10-5-7-18(8-6-10)11-3-4-12(15)13(9-11)20-2;;/h3-12,17-19,21,24H,13-16,20H2,1-2H3;1-10,12H,11H2,(H,17,18);3-4,9-10H,5-8H2,1-2H3;;/q;;;+1;-1
InChIKeyZLFSIXMXAPEUSU-UHFFFAOYSA-N
XLogP10.96
TPSA130.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.47
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole 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

N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
CID 87121267
4-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide;N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(4-methylphenyl)imidazole-1-carboxamide;hydrobromide
CID 159634373
2-[3-(1H-imidazol-5-yl)phenoxy]acetic acid
CID 69090482
N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
CID 66683001
N-cyclohexyl-4-[3-[2-(2-hydroxyethylamino)ethoxy]phenyl]-N-methylimidazole-1-carboxamide
CID 90906418
bis(4-[3-(carbamoylamino)phenyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-methylimidazole-1-carboxamide);dihydrochloride
CID 157156754
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-chlorophenyl)imidazole-1-carboxylate
CID 158648644
N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
CID 66714003
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]azanium
CID 144785567
N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
CID 123757708
4-(4-fluoro-3-methoxyphenyl)-N-methyl-N-(oxan-4-yl)imidazole-1-carboxamide;N-methyloxan-4-amine;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate
CID 162110826

Frequently Asked Questions

What is the IUPAC name of sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole?
The IUPAC name of sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole (CID 159152492) is sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole.
What is the SMILES notation for sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole?
The canonical SMILES for sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole is COc1cc(N2CCC(N(C)C(=O)Cl)CC2)ccc1Br.COc1cc(N2CCC(N(C)C(=O)n3cnc(-c4cccc(OCc5ccccc5)c4)c3)CC2)ccc1Br.[H-].[Na+].c1ccc(COc2cccc(-c3cnc[nH]3)c2)cc1.
What is the InChIKey of sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole?
The InChIKey is ZLFSIXMXAPEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31BrN4O3.C16H14N2O.C14H18BrClN2O2.Na.H/c1-33(24-13-15-34(16-14-24)25-11-12-27(31)29(18-25)37-2)30(36)35-19-28(32-21-35)23-9-6-10-26(17-23)38-20-22-7-4-3-5-8-22;1-2-5-13(6-3-1)11-19-15-8-4-7-14(9-15)16-10-17-12-18-16;1-17(14(16)19)10-5-7-18(8-6-10)11-3-4-12(15)13(9-11)20-2;;/h3-12,17-19,21,24H,13-16,20H2,1-2H3;1-10,12H,11H2,(H,17,18);3-4,9-10H,5-8H2,1-2H3;;/q;;;+1;-1.
What are the key properties of sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole?
sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole has a molecular weight of 1211.47 g/mol, XLogP of 10.96, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 159152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).