1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole

C26H28N2 — CID 164687351

IUPAC1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole
SMILESC=C(C#CC(C)(C)C)CCCn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H28N2/c1-21(17-18-26(2,3)4)12-11-19-28-20-27-24(22-13-7-5-8-14-22)25(28)23-15-9-6-10-16-23/h5-10,13-16,20H,1,11-12,19H2,2-4H3
InChIKeyRGGNNLDWMMHNKF-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.60
Rot. Bonds6

About 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole

1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole (PubChem CID 164687351) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole
PubChem CID164687351
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole
SMILESC=C(C#CC(C)(C)C)CCCn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H28N2/c1-21(17-18-26(2,3)4)12-11-19-28-20-27-24(22-13-7-5-8-14-22)25(28)23-15-9-6-10-16-23/h5-10,13-16,20H,1,11-12,19H2,2-4H3
InChIKeyRGGNNLDWMMHNKF-UHFFFAOYSA-N
XLogP6.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Diphenylimidazole
CID 69588
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
SB-216995
CID 5171
1-Benzyl-1H-benzimidazole
CID 563347
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinoline
CID 10586086
1-(4-Cyanobenzyl)-5-(2-methylphenyl)-1H-imidazole
CID 44187006
4-((5-phenyl-1H-imidazol-1-yl)methyl)benzonitrile
CID 44206482
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
1-methyl-4-phenyl-1H-imidazole
CID 2748782
1-(2-phenylethyl)-1H-benzimidazole
CID 409927

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole?
The IUPAC name of 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole (CID 164687351) is 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole.
What is the SMILES notation for 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole?
The canonical SMILES for 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole is C=C(C#CC(C)(C)C)CCCn1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole?
The InChIKey is RGGNNLDWMMHNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-21(17-18-26(2,3)4)12-11-19-28-20-27-24(22-13-7-5-8-14-22)25(28)23-15-9-6-10-16-23/h5-10,13-16,20H,1,11-12,19H2,2-4H3.
What are the key properties of 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole?
1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole has a molecular weight of 368.52 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-4-methylideneoct-5-ynyl)-4,5-diphenylimidazole is sourced from PubChem (CID 164687351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).