3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole

C21H34N2 — CID 141056391

IUPAC3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole
SMILESCCC=C(CCC)C1=CNCN1C1C(C)=CC(C)=CC1(C)CC
InChIInChI=1S/C21H34N2/c1-7-10-18(11-8-2)19-14-22-15-23(19)20-17(5)12-16(4)13-21(20,6)9-3/h10,12-14,20,22H,7-9,11,15H2,1-6H3
InChIKeyPBHUBWYDCSCDLI-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.52
Rot. Bonds6

About 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole

3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole (PubChem CID 141056391) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole
PubChem CID141056391
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole
SMILESCCC=C(CCC)C1=CNCN1C1C(C)=CC(C)=CC1(C)CC
InChIInChI=1S/C21H34N2/c1-7-10-18(11-8-2)19-14-22-15-23(19)20-17(5)12-16(4)13-21(20,6)9-3/h10,12-14,20,22H,7-9,11,15H2,1-6H3
InChIKeyPBHUBWYDCSCDLI-UHFFFAOYSA-N
XLogP5.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole with MolForge

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Related Compounds

N-[2-(5-fluoro-3a-methyl-1,4-dihydroindol-3-yl)ethyl]-N-methylbut-3-en-2-amine
CID 167204719
(1E)-3-[3-(1-amino-2,2-difluoropropyl)-5-methyl-2-methylidene-1-pyridinyl]-1-N'-[(1-ethylcyclobutyl)methyl]buta-1,3-diene-1,1-diamine
CID 168202383
7,9-Diazatetracyclo[12.4.0.01,6.07,11]octadeca-5,10,12,14,16-pentaen-16-amine
CID 88443827
(Z)-[(5R)-5,6-diethyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]-3-[(4R)-4-propan-2-ylcyclohexa-1,5-dien-1-yl]-4,5-dihydrobenzimidazol-2-ylidene]methanamine
CID 118616911
1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole
CID 123567763
2-Methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-1,2-dihydroimidazole
CID 126634630
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole
CID 134484500
8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole
CID 135211030
1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine
CID 139373013
7,8-diethyl-1,5,7,8-tetramethyl-6-[(Z)-prop-1-enyl]-8aH-imidazo[1,2-a]pyridine
CID 139567877
acetylene;ethane;N'-[2-methyl-4-[(1E)-3-(methylamino)buta-1,3-dienyl]cyclohexa-1,5-dien-1-yl]-N-propan-2-yl-N'-(3,5,5-trimethylhexyl)methanediamine;propane
CID 143424487
(1Z,3Z,5Z)-N-[(2E,4E,6E)-7-[5-[(Z)-but-2-enyl]-4-ethenyl-3,3-dimethyl-1,2-dihydropyrrol-2-yl]hepta-2,4,6-trien-2-yl]-2-tert-butyl-N-methylhepta-1,3,5-trien-1-amine
CID 143870487

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole?
The IUPAC name of 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole (CID 141056391) is 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole?
The canonical SMILES for 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole is CCC=C(CCC)C1=CNCN1C1C(C)=CC(C)=CC1(C)CC.
What is the InChIKey of 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole?
The InChIKey is PBHUBWYDCSCDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-7-10-18(11-8-2)19-14-22-15-23(19)20-17(5)12-16(4)13-21(20,6)9-3/h10,12-14,20,22H,7-9,11,15H2,1-6H3.
What are the key properties of 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole?
3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole has a molecular weight of 314.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-4-hept-3-en-4-yl-1,2-dihydroimidazole is sourced from PubChem (CID 141056391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).