1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole

C11H18N4O — CID 5242122

IUPAC1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1C1=NC(C)(C)C(C)(C)N1O
InChIInChI=1S/C11H18N4O/c1-7-8(13-6-12-7)9-14-10(2,3)11(4,5)15(9)16/h6,16H,1-5H3,(H,12,13)
InChIKeyQICMZMFJZODBKF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.73
Rot. Bonds1

About 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole

1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole (PubChem CID 5242122) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole
PubChem CID5242122
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1C1=NC(C)(C)C(C)(C)N1O
InChIInChI=1S/C11H18N4O/c1-7-8(13-6-12-7)9-14-10(2,3)11(4,5)15(9)16/h6,16H,1-5H3,(H,12,13)
InChIKeyQICMZMFJZODBKF-UHFFFAOYSA-N
XLogP1.73
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
CID 135816694
CID 101256125
CID 101256125
4,5-(Diamidoximyl)imidazole
CID 139185503
5-(6,6-dimethyl-4,5-dihydro-1H-pyrimidin-3-ium-2-yl)-1H-imidazol-3-ium-4-amine;dichloride;dihydrate
CID 139190704
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167
1-(1-isobutylpyrrolidin-3-yl)-N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 50979891
N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 14010475
N'-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 17981045
N-(5-methyl-4-imidazolylmethyl)ethylenediamine
CID 20557710
2-cyano-1-[2-[[4-[[2-[(N'-cyanocarbamimidoyl)-methylamino]ethylamino]methyl]-1H-imidazol-5-yl]methylamino]ethyl]-1-methylguanidine
CID 20567600
4-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-2-amine
CID 21355449
5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole
CID 23396989

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole (CID 5242122) is 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole is Cc1[nH]cnc1C1=NC(C)(C)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The InChIKey is QICMZMFJZODBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(13-6-12-7)9-14-10(2,3)11(4,5)15(9)16/h6,16H,1-5H3,(H,12,13).
What are the key properties of 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole?
1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole has a molecular weight of 222.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole is sourced from PubChem (CID 5242122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).