2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole

C24H22N2 — CID 118944080

IUPAC2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(C(C)C)c2-n2ccnc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H22N2/c1-18(2)21-14-9-15-22(19-10-5-3-6-11-19)23(21)26-17-16-25-24(26)20-12-7-4-8-13-20/h3-18H,1-2H3/i3D,4D,5D,6D,7D,8D,10D,11D,12D,13D
InChIKeyPANQMIHMFBPNFX-ZKZWDRQZSA-N
MW348.52 g/mol
LogP6.33
Rot. Bonds4

About 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole

2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole (PubChem CID 118944080) has the molecular formula C24H22N2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
PubChem CID118944080
Molecular FormulaC24H22N2
Molecular Weight348.52 g/mol
Exact Mass348.24
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(C(C)C)c2-n2ccnc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H22N2/c1-18(2)21-14-9-15-22(19-10-5-3-6-11-19)23(21)26-17-16-25-24(26)20-12-7-4-8-13-20/h3-18H,1-2H3/i3D,4D,5D,6D,7D,8D,10D,11D,12D,13D
InChIKeyPANQMIHMFBPNFX-ZKZWDRQZSA-N
XLogP6.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole?
The IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole (CID 118944080) is 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole.
What is the SMILES notation for 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole?
The canonical SMILES for 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole is [2H]c1c([2H])c([2H])c(-c2cccc(C(C)C)c2-n2ccnc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole?
The InChIKey is PANQMIHMFBPNFX-ZKZWDRQZSA-N. The full InChI is InChI=1S/C24H22N2/c1-18(2)21-14-9-15-22(19-10-5-3-6-11-19)23(21)26-17-16-25-24(26)20-12-7-4-8-13-20/h3-18H,1-2H3/i3D,4D,5D,6D,7D,8D,10D,11D,12D,13D.
What are the key properties of 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole?
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole has a molecular weight of 348.52 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole is sourced from PubChem (CID 118944080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).