carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate

C102H164N12O10Sn4 — CID 159249458

IUPACcarbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate
SMILESCCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN(C)C(=O)CCC(=O)CN2C(=O)CCC2=O)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)O)c1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)ON2C(=O)CCC2=O)c1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H19N2O4.C11H8NO4.C7H8N.C7H5O2.4C6H10N2.8C4H9.4CH3.4Sn/c1-18(11-13-5-3-2-4-6-13)15(21)8-7-14(20)12-19-16(22)9-10-17(19)23;13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6;4*1-3-8-5-4-7(2)6-8;8*1-3-4-2;;;;;;;;/h3-6H,7-12H2,1H3;1-2,4-5H,6-7H2;2-5H,6,8H2;1-2,4-5H,(H,8,9);4*4-6H,2-3H2,1H3;8*1,3-4H2,2H3;4*1H3;;;;/q;;;;4*+1;;;;;;;;;4*-1;;;;
InChIKeyKVCIRQHJTAFOBC-UHFFFAOYSA-N
MW2193.35 g/mol
LogP16.80
Rot. Bonds51

About carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate

carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate (PubChem CID 159249458) has the molecular formula C102H164N12O10Sn4 and a molecular weight of 2193.35 g/mol. Its IUPAC name is carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate.

Molecular Properties

Compound Namecarbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate
PubChem CID159249458
Molecular FormulaC102H164N12O10Sn4
Molecular Weight2193.35 g/mol
Exact Mass2196.88
IUPAC Namecarbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate
SMILESCCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN(C)C(=O)CCC(=O)CN2C(=O)CCC2=O)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)O)c1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)ON2C(=O)CCC2=O)c1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H19N2O4.C11H8NO4.C7H8N.C7H5O2.4C6H10N2.8C4H9.4CH3.4Sn/c1-18(11-13-5-3-2-4-6-13)15(21)8-7-14(20)12-19-16(22)9-10-17(19)23;13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6;4*1-3-8-5-4-7(2)6-8;8*1-3-4-2;;;;;;;;/h3-6H,7-12H2,1H3;1-2,4-5H,6-7H2;2-5H,6,8H2;1-2,4-5H,(H,8,9);4*4-6H,2-3H2,1H3;8*1,3-4H2,2H3;4*1H3;;;;/q;;;;4*+1;;;;;;;;;4*-1;;;;
InChIKeyKVCIRQHJTAFOBC-UHFFFAOYSA-N
XLogP16.80
TPSA237.00 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds51
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.35
LogP ≤ 516.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate with MolForge

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Related Compounds

azane;benzoic acid;benzoyl imidazole-1-carboxylate;carbon monoxide;di(imidazol-1-yl)methanone;1H-imidazole;N-methylbenzamide
CID 159270316
benzoic acid;benzoyl imidazole-1-carboxylate;carbon dioxide;di(imidazol-1-yl)methanone;1H-imidazole;methanamine;N-methylbenzamide
CID 159698082

Frequently Asked Questions

What is the IUPAC name of carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate?
The IUPAC name of carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate (CID 159249458) is carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate.
What is the SMILES notation for carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate?
The canonical SMILES for carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate is CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN(C)C(=O)CCC(=O)CN2C(=O)CCC2=O)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1ccc(CN)cc1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)O)c1.CCCC[Sn](CCCC)(C[n+]1ccn(CC)c1)c1cccc(C(=O)ON2C(=O)CCC2=O)c1.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate?
The InChIKey is KVCIRQHJTAFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O4.C11H8NO4.C7H8N.C7H5O2.4C6H10N2.8C4H9.4CH3.4Sn/c1-18(11-13-5-3-2-4-6-13)15(21)8-7-14(20)12-19-16(22)9-10-17(19)23;13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6;4*1-3-8-5-4-7(2)6-8;8*1-3-4-2;;;;;;;;/h3-6H,7-12H2,1H3;1-2,4-5H,6-7H2;2-5H,6,8H2;1-2,4-5H,(H,8,9);4*4-6H,2-3H2,1H3;8*1,3-4H2,2H3;4*1H3;;;;/q;;;;4*+1;;;;;;;;;4*-1;;;;.
What are the key properties of carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate?
carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate has a molecular weight of 2193.35 g/mol, XLogP of 16.80, 51 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoic acid;[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methanamine;N-[[4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]phenyl]methyl]-5-(2,5-dioxopyrrolidin-1-yl)-N-methyl-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]benzoate is sourced from PubChem (CID 159249458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).