1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole

C15H20N2 — CID 90921608

IUPAC1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole
SMILESCC(C=CC1=CCCC=C1)C(C)n1ccnc1
InChIInChI=1S/C15H20N2/c1-13(14(2)17-11-10-16-12-17)8-9-15-6-4-3-5-7-15/h4,6-14H,3,5H2,1-2H3
InChIKeyYAUBTRCONISREA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.91
Rot. Bonds4

About 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole

1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole (PubChem CID 90921608) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole.

Molecular Properties

Compound Name1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole
PubChem CID90921608
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole
SMILESCC(C=CC1=CCCC=C1)C(C)n1ccnc1
InChIInChI=1S/C15H20N2/c1-13(14(2)17-11-10-16-12-17)8-9-15-6-4-3-5-7-15/h4,6-14H,3,5H2,1-2H3
InChIKeyYAUBTRCONISREA-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole?
The IUPAC name of 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole (CID 90921608) is 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole.
What is the SMILES notation for 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole?
The canonical SMILES for 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole is CC(C=CC1=CCCC=C1)C(C)n1ccnc1.
What is the InChIKey of 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole?
The InChIKey is YAUBTRCONISREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-13(14(2)17-11-10-16-12-17)8-9-15-6-4-3-5-7-15/h4,6-14H,3,5H2,1-2H3.
What are the key properties of 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole?
1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole has a molecular weight of 228.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole is sourced from PubChem (CID 90921608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).