azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide

C33H42N17O5- — CID 158583577

IUPACazane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide
SMILESCCOC(=O)Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1ncc[nH]1.Cn1ccnc1-c1nccn1CC(=O)O.N.[OH-].c1c[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/C11H14N4O2.C9H10N4O2.C7H8N4.C6H6N4.H3N.H2O/c1-3-17-9(16)8-15-7-5-13-11(15)10-12-4-6-14(10)2;1-12-4-2-10-8(12)9-11-3-5-13(9)6-7(14)15;1-11-5-4-10-7(11)6-8-2-3-9-6;1-2-8-5(7-1)6-9-3-4-10-6;;/h4-7H,3,8H2,1-2H3;2-5H,6H2,1H3,(H,14,15);2-5H,1H3,(H,8,9);1-4H,(H,7,8)(H,9,10);1H3;1H2/p-1
InChIKeyUNRBFQPSBFWJBU-UHFFFAOYSA-M
MW756.81 g/mol
LogP2.81
Rot. Bonds9

About azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide

azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide (PubChem CID 158583577) has the molecular formula C33H42N17O5- and a molecular weight of 756.81 g/mol. Its IUPAC name is azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide.

Molecular Properties

Compound Nameazane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide
PubChem CID158583577
Molecular FormulaC33H42N17O5-
Molecular Weight756.81 g/mol
Exact Mass756.36
IUPAC Nameazane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide
SMILESCCOC(=O)Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1ncc[nH]1.Cn1ccnc1-c1nccn1CC(=O)O.N.[OH-].c1c[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/C11H14N4O2.C9H10N4O2.C7H8N4.C6H6N4.H3N.H2O/c1-3-17-9(16)8-15-7-5-13-11(15)10-12-4-6-14(10)2;1-12-4-2-10-8(12)9-11-3-5-13(9)6-7(14)15;1-11-5-4-10-7(11)6-8-2-3-9-6;1-2-8-5(7-1)6-9-3-4-10-6;;/h4-7H,3,8H2,1-2H3;2-5H,6H2,1H3,(H,14,15);2-5H,1H3,(H,8,9);1-4H,(H,7,8)(H,9,10);1H3;1H2/p-1
InChIKeyUNRBFQPSBFWJBU-UHFFFAOYSA-M
XLogP2.81
TPSA303.74 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.81
LogP ≤ 52.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide with MolForge

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Related Compounds

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ethyl 2-[6-fluoro-7-(1H-imidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]acetate
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2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
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benzyl 3-[1-(2-ethoxy-2-oxoethyl)imidazol-2-yl]propanoate
CID 134434153
3-[3-(3-ethoxy-3-oxopropyl)-5-(1H-imidazol-2-ylmethyl)phenyl]propanoic acid
CID 70341673
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide?
The IUPAC name of azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide (CID 158583577) is azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide.
What is the SMILES notation for azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide?
The canonical SMILES for azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide is CCOC(=O)Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1ncc[nH]1.Cn1ccnc1-c1nccn1CC(=O)O.N.[OH-].c1c[nH]c(-c2ncc[nH]2)n1.
What is the InChIKey of azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide?
The InChIKey is UNRBFQPSBFWJBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N4O2.C9H10N4O2.C7H8N4.C6H6N4.H3N.H2O/c1-3-17-9(16)8-15-7-5-13-11(15)10-12-4-6-14(10)2;1-12-4-2-10-8(12)9-11-3-5-13(9)6-7(14)15;1-11-5-4-10-7(11)6-8-2-3-9-6;1-2-8-5(7-1)6-9-3-4-10-6;;/h4-7H,3,8H2,1-2H3;2-5H,6H2,1H3,(H,14,15);2-5H,1H3,(H,8,9);1-4H,(H,7,8)(H,9,10);1H3;1H2/p-1.
What are the key properties of azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide?
azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide has a molecular weight of 756.81 g/mol, XLogP of 2.81, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetate;2-(1H-imidazol-2-yl)-1H-imidazole;2-(1H-imidazol-2-yl)-1-methylimidazole;2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]acetic acid;hydroxide is sourced from PubChem (CID 158583577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).