1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole

C18H24N2 — CID 123835755

IUPAC1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole
SMILESCC(C)C=C(CC(C)C)n1ccnc1-c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)12-17(13-15(3)4)20-11-10-19-18(20)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3
InChIKeyIXNMFGYGUXNPGT-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.09
Rot. Bonds5

About 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole

1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole (PubChem CID 123835755) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole
PubChem CID123835755
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole
SMILESCC(C)C=C(CC(C)C)n1ccnc1-c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)12-17(13-15(3)4)20-11-10-19-18(20)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3
InChIKeyIXNMFGYGUXNPGT-UHFFFAOYSA-N
XLogP5.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole?
The IUPAC name of 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole (CID 123835755) is 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole.
What is the SMILES notation for 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole?
The canonical SMILES for 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole is CC(C)C=C(CC(C)C)n1ccnc1-c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole?
The InChIKey is IXNMFGYGUXNPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)12-17(13-15(3)4)20-11-10-19-18(20)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole?
1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole has a molecular weight of 268.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylhept-3-en-4-yl)-2-phenylimidazole is sourced from PubChem (CID 123835755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).