1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole

C23H32N2 — CID 138373985

IUPAC1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
SMILESCc1cc(C)c(CN2C=CN(C34CC5CC(CC(C5)C3)C4)C2)c(C)c1
InChIInChI=1S/C23H32N2/c1-16-6-17(2)22(18(3)7-16)14-24-4-5-25(15-24)23-11-19-8-20(12-23)10-21(9-19)13-23/h4-7,19-21H,8-15H2,1-3H3
InChIKeyJNPPQYCPBFUVDC-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.13
Rot. Bonds3

About 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole

1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole (PubChem CID 138373985) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
PubChem CID138373985
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
SMILESCc1cc(C)c(CN2C=CN(C34CC5CC(CC(C5)C3)C4)C2)c(C)c1
InChIInChI=1S/C23H32N2/c1-16-6-17(2)22(18(3)7-16)14-24-4-5-25(15-24)23-11-19-8-20(12-23)10-21(9-19)13-23/h4-7,19-21H,8-15H2,1-3H3
InChIKeyJNPPQYCPBFUVDC-UHFFFAOYSA-N
XLogP5.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(2,3,5,6-tetramethylphenyl)methyl]-2H-imidazole
CID 101475431
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
CID 175777360
8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55150209
3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
CID 102203198
1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole
CID 157270507
1-[chloro-(2,4-dimethylphenyl)methyl]adamantane
CID 63430019
1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
3-bromo-1-[(2,4,6-trimethylphenyl)methyl]piperidine
CID 80680558
CID 177405612
CID 177405612
1-(1-adamantyl)-4-methylpyrazole
CID 142764574
2-(chloromethyl)-3-methyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 102784753

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The IUPAC name of 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole (CID 138373985) is 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole is Cc1cc(C)c(CN2C=CN(C34CC5CC(CC(C5)C3)C4)C2)c(C)c1.
What is the InChIKey of 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The InChIKey is JNPPQYCPBFUVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-16-6-17(2)22(18(3)7-16)14-24-4-5-25(15-24)23-11-19-8-20(12-23)10-21(9-19)13-23/h4-7,19-21H,8-15H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole has a molecular weight of 336.52 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole is sourced from PubChem (CID 138373985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).