5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole

C15H20N4 — CID 70142534

IUPAC5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1nc(Cc2nc(CC=C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C15H20N4/c1-5-7-14-16-10(3)12(18-14)9-13-11(4)17-15(19-13)8-6-2/h5-6H,1-2,7-9H2,3-4H3,(H,16,18)(H,17,19)
InChIKeyWBIOIOBJZVHEGF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds6

About 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole

5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole (PubChem CID 70142534) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
PubChem CID70142534
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1nc(Cc2nc(CC=C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C15H20N4/c1-5-7-14-16-10(3)12(18-14)9-13-11(4)17-15(19-13)8-6-2/h5-6H,1-2,7-9H2,3-4H3,(H,16,18)(H,17,19)
InChIKeyWBIOIOBJZVHEGF-UHFFFAOYSA-N
XLogP2.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole?
The IUPAC name of 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole (CID 70142534) is 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole is C=CCc1nc(Cc2nc(CC=C)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole?
The InChIKey is WBIOIOBJZVHEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-7-14-16-10(3)12(18-14)9-13-11(4)17-15(19-13)8-6-2/h5-6H,1-2,7-9H2,3-4H3,(H,16,18)(H,17,19).
What are the key properties of 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole?
5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole has a molecular weight of 256.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 70142534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).