1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

C23H34N2 — CID 123752645

IUPAC1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)(C)C1
InChIInChI=1S/C23H34N2/c1-15-11-18(4)22(23(7,8)13-15)25-10-9-24(14-25)21-17(3)12-16(2)19(5)20(21)6/h9-12,19-20H,13-14H2,1-8H3
InChIKeyPIRITSIIQRKALH-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.19
Rot. Bonds2

About 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (PubChem CID 123752645) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.

Molecular Properties

Compound Name1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
PubChem CID123752645
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)(C)C1
InChIInChI=1S/C23H34N2/c1-15-11-18(4)22(23(7,8)13-15)25-10-9-24(14-25)21-17(3)12-16(2)19(5)20(21)6/h9-12,19-20H,13-14H2,1-8H3
InChIKeyPIRITSIIQRKALH-UHFFFAOYSA-N
XLogP6.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole with MolForge

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Related Compounds

1-[(6S)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2,2-difluoroimidazole
CID 156686575
1,3-bis[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476075
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476076
N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-N-[2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-N'-ethenyl-N-methylmethanediamine
CID 117710261
1-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-3-(6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-2H-imidazole
CID 117710268
1-[2,6-Di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123292874
3,4-diethyl-N,N,1,3,4,6-hexamethyl-5-prop-1-enyl-2H-pyridin-2-amine
CID 123647516
1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123754159
1-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 123776308
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123899937
3,3-diethyl-N,N,1,6-tetramethyl-4-methylidene-5-prop-1-enyl-2H-pyridin-2-amine
CID 123966498
4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine
CID 126516010

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (CID 123752645) is 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.
What is the SMILES notation for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The canonical SMILES for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is CC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)(C)C1.
What is the InChIKey of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The InChIKey is PIRITSIIQRKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-15-11-18(4)22(23(7,8)13-15)25-10-9-24(14-25)21-17(3)12-16(2)19(5)20(21)6/h9-12,19-20H,13-14H2,1-8H3.
What are the key properties of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole has a molecular weight of 338.54 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is sourced from PubChem (CID 123752645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).