2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole

C17H17N15 — CID 23295374

IUPAC2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole
SMILESc1c[nH]c(C(c2ncc[nH]2)c2ncc[nH]2)n1.c1cn(C(n2ccnn2)n2ccnn2)nn1
InChIInChI=1S/C10H10N6.C7H7N9/c1-2-12-8(11-1)7(9-13-3-4-14-9)10-15-5-6-16-10;1-4-14(11-8-1)7(15-5-2-9-12-15)16-6-3-10-13-16/h1-7H,(H,11,12)(H,13,14)(H,15,16);1-7H
InChIKeyVSAVHPITALROKI-UHFFFAOYSA-N
MW431.43 g/mol
LogP0.05
Rot. Bonds6

About 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole

2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole (PubChem CID 23295374) has the molecular formula C17H17N15 and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole
PubChem CID23295374
Molecular FormulaC17H17N15
Molecular Weight431.43 g/mol
Exact Mass431.18
IUPAC Name2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole
SMILESc1c[nH]c(C(c2ncc[nH]2)c2ncc[nH]2)n1.c1cn(C(n2ccnn2)n2ccnn2)nn1
InChIInChI=1S/C10H10N6.C7H7N9/c1-2-12-8(11-1)7(9-13-3-4-14-9)10-15-5-6-16-10;1-4-14(11-8-1)7(15-5-2-9-12-15)16-6-3-10-13-16/h1-7H,(H,11,12)(H,13,14)(H,15,16);1-7H
InChIKeyVSAVHPITALROKI-UHFFFAOYSA-N
XLogP0.05
TPSA178.17 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.43
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

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2,2-bis(1H-imidazol-2-yl)acetic acid;hydrochloride
CID 156696952
2-butan-2-yl-1H-imidazole;ethane
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CID 20805474

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole?
The IUPAC name of 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole (CID 23295374) is 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole.
What is the SMILES notation for 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole?
The canonical SMILES for 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole is c1c[nH]c(C(c2ncc[nH]2)c2ncc[nH]2)n1.c1cn(C(n2ccnn2)n2ccnn2)nn1.
What is the InChIKey of 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole?
The InChIKey is VSAVHPITALROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6.C7H7N9/c1-2-12-8(11-1)7(9-13-3-4-14-9)10-15-5-6-16-10;1-4-14(11-8-1)7(15-5-2-9-12-15)16-6-3-10-13-16/h1-7H,(H,11,12)(H,13,14)(H,15,16);1-7H.
What are the key properties of 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole?
2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole has a molecular weight of 431.43 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1H-imidazol-2-yl)methyl]-1H-imidazole;1-[bis(triazol-1-yl)methyl]triazole is sourced from PubChem (CID 23295374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).