1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole

C16H24N2 — CID 174844019

IUPAC1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole
SMILESC=CCC1=C(CC=C)N(CC=C)C(CC=C)N1C
InChIInChI=1S/C16H24N2/c1-6-10-14-15(11-7-2)18(13-9-4)16(12-8-3)17(14)5/h6-9,16H,1-4,10-13H2,5H3
InChIKeyRIEDQTBZISRXJZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.69
Rot. Bonds8

About 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole

1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole (PubChem CID 174844019) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole
PubChem CID174844019
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole
SMILESC=CCC1=C(CC=C)N(CC=C)C(CC=C)N1C
InChIInChI=1S/C16H24N2/c1-6-10-14-15(11-7-2)18(13-9-4)16(12-8-3)17(14)5/h6-9,16H,1-4,10-13H2,5H3
InChIKeyRIEDQTBZISRXJZ-UHFFFAOYSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
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 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole?
The IUPAC name of 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole (CID 174844019) is 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole?
The canonical SMILES for 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole is C=CCC1=C(CC=C)N(CC=C)C(CC=C)N1C.
What is the InChIKey of 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole?
The InChIKey is RIEDQTBZISRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-10-14-15(11-7-2)18(13-9-4)16(12-8-3)17(14)5/h6-9,16H,1-4,10-13H2,5H3.
What are the key properties of 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole?
1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5-tetrakis(prop-2-enyl)-2H-imidazole is sourced from PubChem (CID 174844019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).