1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

C21H32N8 — CID 162277531

IUPAC1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESC=CN1C=CN(CN2C=CN(C)C2)C1.C=CN1C=CN(CN2C=CN(C=C)C2)C1
InChIInChI=1S/C11H16N4.C10H16N4/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;1-3-12-6-7-14(9-12)10-13-5-4-11(2)8-13/h3-8H,1-2,9-11H2;3-7H,1,8-10H2,2H3
InChIKeyMDANEBFABWLVJX-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.13
Rot. Bonds7

About 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (PubChem CID 162277531) has the molecular formula C21H32N8 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
PubChem CID162277531
Molecular FormulaC21H32N8
Molecular Weight396.54 g/mol
Exact Mass396.27
IUPAC Name1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESC=CN1C=CN(CN2C=CN(C)C2)C1.C=CN1C=CN(CN2C=CN(C=C)C2)C1
InChIInChI=1S/C11H16N4.C10H16N4/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;1-3-12-6-7-14(9-12)10-13-5-4-11(2)8-13/h3-8H,1-2,9-11H2;3-7H,1,8-10H2,2H3
InChIKeyMDANEBFABWLVJX-UHFFFAOYSA-N
XLogP2.13
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole with MolForge

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Related Compounds

ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162283756
1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
CID 172862570
1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
CID 173227414
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
acetic acid;1-ethenyl-3-methyl-2H-imidazole
CID 174673019
1-but-3-enyl-3-methyl-2H-imidazole;hydrobromide
CID 173072887
azane;1-methyl-3-prop-2-enyl-2H-imidazole
CID 175373191
1-ethenyl-3-[12-(1-ethenylpyrrol-3-yl)dodecyl]-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;dibromide;chloride
CID 162277526
1-ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 175452131
2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
CID 159541886
1,3-bis(ethenyl)-2H-imidazole;hydrochloride
CID 175397950
2-(3-ethenyl-2H-imidazol-1-yl)acetonitrile;hydrobromide
CID 175320874

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The IUPAC name of 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (CID 162277531) is 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is C=CN1C=CN(CN2C=CN(C)C2)C1.C=CN1C=CN(CN2C=CN(C=C)C2)C1.
What is the InChIKey of 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The InChIKey is MDANEBFABWLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.C10H16N4/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;1-3-12-6-7-14(9-12)10-13-5-4-11(2)8-13/h3-8H,1-2,9-11H2;3-7H,1,8-10H2,2H3.
What are the key properties of 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole has a molecular weight of 396.54 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is sourced from PubChem (CID 162277531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).