carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate

C21H39N4ORh- — CID 162285194

IUPACcarbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate
SMILESCC1C(C)C(C)C(C)C1C.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.O.[CH3-].[Rh]
InChIInChI=1S/C10H14N4.C10H20.CH3.H2O.Rh/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-6-7(2)9(4)10(5)8(6)3;;;/h1-4H3,(H,11,12)(H,13,14);6-10H,1-5H3;1H3;1H2;/q;;-1;;
InChIKeyDYAAULRBYVYUKB-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.84
Rot. Bonds1

About carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate

carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate (PubChem CID 162285194) has the molecular formula C21H39N4ORh- and a molecular weight of 466.48 g/mol. Its IUPAC name is carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate.

Molecular Properties

Compound Namecarbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate
PubChem CID162285194
Molecular FormulaC21H39N4ORh-
Molecular Weight466.48 g/mol
Exact Mass466.22
IUPAC Namecarbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate
SMILESCC1C(C)C(C)C(C)C1C.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.O.[CH3-].[Rh]
InChIInChI=1S/C10H14N4.C10H20.CH3.H2O.Rh/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-6-7(2)9(4)10(5)8(6)3;;;/h1-4H3,(H,11,12)(H,13,14);6-10H,1-5H3;1H3;1H2;/q;;-1;;
InChIKeyDYAAULRBYVYUKB-UHFFFAOYSA-N
XLogP4.84
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc;tris(2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole);dinitrate
CID 139067880
4,5-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 118272345
4,5-dimethyl-2-(4-nitrophenyl)-1H-imidazole
CID 20685081
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylaniline
CID 65454715
2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
CID 82481071
5-bromo-4-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrimidine
CID 164661947
2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethoxyaniline
CID 61394101
2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
CID 171482381
5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
CID 58851982
2-[3-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1H-imidazole
CID 46232084
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
CID 106516199

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate?
The IUPAC name of carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate (CID 162285194) is carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate.
What is the SMILES notation for carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate?
The canonical SMILES for carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate is CC1C(C)C(C)C(C)C1C.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.O.[CH3-].[Rh].
What is the InChIKey of carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate?
The InChIKey is DYAAULRBYVYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C10H20.CH3.H2O.Rh/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10;1-6-7(2)9(4)10(5)8(6)3;;;/h1-4H3,(H,11,12)(H,13,14);6-10H,1-5H3;1H3;1H2;/q;;-1;;.
What are the key properties of carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate?
carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate has a molecular weight of 466.48 g/mol, XLogP of 4.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate is sourced from PubChem (CID 162285194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).