2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole

C16H24N2 — CID 102029177

IUPAC2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole
SMILESCC1=C(C)N(C)C(=C2C=CC(C(C)(C)C)=C2)N1C
InChIInChI=1S/C16H24N2/c1-11-12(2)18(7)15(17(11)6)13-8-9-14(10-13)16(3,4)5/h8-10H,1-7H3
InChIKeyLHODFOMFQPHVCQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.87
Rot. Bonds

About 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole

2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole (PubChem CID 102029177) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole.

Molecular Properties

Compound Name2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole
PubChem CID102029177
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole
SMILESCC1=C(C)N(C)C(=C2C=CC(C(C)(C)C)=C2)N1C
InChIInChI=1S/C16H24N2/c1-11-12(2)18(7)15(17(11)6)13-8-9-14(10-13)16(3,4)5/h8-10H,1-7H3
InChIKeyLHODFOMFQPHVCQ-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 13280633
2-Cyclopenta-2,4-dien-1-ylidene-1,3,4,5-tetramethylimidazole
CID 102029175
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
CID 177444129
CID 177444129
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazole;carbanide;iridium
CID 57622319
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazole;carbanide;rhodium(2+)
CID 57622534
4,12-Ditert-butyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaene
CID 118636759
1-N'-tert-butyl-1-N,1-N'-dimethyl-1-N-[(3Z)-4-methylidene-3-[(E)-3,4,4-trimethylpent-2-enylidene]cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 169835166
4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole
CID 170360363
CID 177411079
CID 177411079

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole?
The IUPAC name of 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole (CID 102029177) is 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole.
What is the SMILES notation for 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole?
The canonical SMILES for 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole is CC1=C(C)N(C)C(=C2C=CC(C(C)(C)C)=C2)N1C.
What is the InChIKey of 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole?
The InChIKey is LHODFOMFQPHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-12(2)18(7)15(17(11)6)13-8-9-14(10-13)16(3,4)5/h8-10H,1-7H3.
What are the key properties of 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole?
2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole has a molecular weight of 244.38 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-1,3,4,5-tetramethylimidazole is sourced from PubChem (CID 102029177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).