(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine

C20H26N10 — CID 132558437

IUPAC(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1[C@H]1N[C@@H](c2nccn2C)[C@H](c2nccn2C)N[C@@H]1c1nccn1C
InChIInChI=1S/C20H26N10/c1-27-9-5-21-17(27)13-14(18-22-6-10-28(18)2)26-16(20-24-8-12-30(20)4)15(25-13)19-23-7-11-29(19)3/h5-16,25-26H,1-4H3/t13-,14-,15+,16+
InChIKeyHXAPYQNRHSDELL-RUPPMWDTSA-N
MW406.50 g/mol
LogP1.08
Rot. Bonds4

About (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine

(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine (PubChem CID 132558437) has the molecular formula C20H26N10 and a molecular weight of 406.50 g/mol. Its IUPAC name is (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
PubChem CID132558437
Molecular FormulaC20H26N10
Molecular Weight406.50 g/mol
Exact Mass406.23
IUPAC Name(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1[C@H]1N[C@@H](c2nccn2C)[C@H](c2nccn2C)N[C@@H]1c1nccn1C
InChIInChI=1S/C20H26N10/c1-27-9-5-21-17(27)13-14(18-22-6-10-28(18)2)26-16(20-24-8-12-30(20)4)15(25-13)19-23-7-11-29(19)3/h5-16,25-26H,1-4H3/t13-,14-,15+,16+
InChIKeyHXAPYQNRHSDELL-RUPPMWDTSA-N
XLogP1.08
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779154
2-cyclopentyl-1-methylimidazole
CID 83382106
2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
(2S)-2-(1-methylimidazol-2-yl)piperazine
CID 98010147
2-(2-bicyclo[2.2.1]hept-5-enyl)-1-methylimidazole
CID 91704253
5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 112574792
5-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779130
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 7140327
2-[4-(bromomethyl)pyrrolidin-3-yl]-1-methylimidazole
CID 130972067
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
CID 130002884

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine?
The IUPAC name of (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine (CID 132558437) is (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine is Cn1ccnc1[C@H]1N[C@@H](c2nccn2C)[C@H](c2nccn2C)N[C@@H]1c1nccn1C.
What is the InChIKey of (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine?
The InChIKey is HXAPYQNRHSDELL-RUPPMWDTSA-N. The full InChI is InChI=1S/C20H26N10/c1-27-9-5-21-17(27)13-14(18-22-6-10-28(18)2)26-16(20-24-8-12-30(20)4)15(25-13)19-23-7-11-29(19)3/h5-16,25-26H,1-4H3/t13-,14-,15+,16+.
What are the key properties of (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine?
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine has a molecular weight of 406.50 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 132558437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).