copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride

C52H64Cl2CuN16O4 — CID 139185524

IUPACcopper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
SMILESCc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/4C13H16N4O.2ClH.Cu/c4*1-10-2-4-11(5-3-10)17-13(18)15-7-6-12-8-14-9-16-12;;;/h4*2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18);2*1H;/q;;;;;;+2/p-2
InChIKeyXGHNOZPDWVSSFM-UHFFFAOYSA-L
MW1111.64 g/mol
LogP2.33
Rot. Bonds16

About copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride

copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride (PubChem CID 139185524) has the molecular formula C52H64Cl2CuN16O4 and a molecular weight of 1111.64 g/mol. Its IUPAC name is copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride.

Molecular Properties

Compound Namecopper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
PubChem CID139185524
Molecular FormulaC52H64Cl2CuN16O4
Molecular Weight1111.64 g/mol
Exact Mass1109.40
IUPAC Namecopper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
SMILESCc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/4C13H16N4O.2ClH.Cu/c4*1-10-2-4-11(5-3-10)17-13(18)15-7-6-12-8-14-9-16-12;;;/h4*2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18);2*1H;/q;;;;;;+2/p-2
InChIKeyXGHNOZPDWVSSFM-UHFFFAOYSA-L
XLogP2.33
TPSA279.24 Ų
H-Bond Donors12
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.64
LogP ≤ 52.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 65231540
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
1-(4-acetylphenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea
CID 2027364
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
1-[2-(1H-imidazol-5-yl)ethyl]-3-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 46997295
1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 72862193
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
1-(4-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea
CID 4874785
1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea
CID 10523047
ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10825620

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride?
The IUPAC name of copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride (CID 139185524) is copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride.
What is the SMILES notation for copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride?
The canonical SMILES for copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride is Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.Cc1ccc(NC(=O)NCCc2cnc[nH]2)cc1.[Cl-].[Cl-].[Cu+2].
What is the InChIKey of copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride?
The InChIKey is XGHNOZPDWVSSFM-UHFFFAOYSA-L. The full InChI is InChI=1S/4C13H16N4O.2ClH.Cu/c4*1-10-2-4-11(5-3-10)17-13(18)15-7-6-12-8-14-9-16-12;;;/h4*2-5,8-9H,6-7H2,1H3,(H,14,16)(H2,15,17,18);2*1H;/q;;;;;;+2/p-2.
What are the key properties of copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride?
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride has a molecular weight of 1111.64 g/mol, XLogP of 2.33, 16 rotatable bonds, 12 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride is sourced from PubChem (CID 139185524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).