2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole

C25H34N2 — CID 175777360

IUPAC2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
SMILES[2H]C1N(Cc2c(C)cc(C)cc2C)C=CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-17(2)22-9-8-10-23(18(3)4)25(22)27-12-11-26(16-27)15-24-20(6)13-19(5)14-21(24)7/h8-14,17-18H,15-16H2,1-7H3/i16D
InChIKeyIZJPSALVTITHHP-QNLPYAOMSA-N
MW363.57 g/mol
LogP6.61
Rot. Bonds5

About 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole

2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole (PubChem CID 175777360) has the molecular formula C25H34N2 and a molecular weight of 363.57 g/mol. Its IUPAC name is 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
PubChem CID175777360
Molecular FormulaC25H34N2
Molecular Weight363.57 g/mol
Exact Mass363.28
IUPAC Name2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
SMILES[2H]C1N(Cc2c(C)cc(C)cc2C)C=CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-17(2)22-9-8-10-23(18(3)4)25(22)27-12-11-26(16-27)15-24-20(6)13-19(5)14-21(24)7/h8-14,17-18H,15-16H2,1-7H3/i16D
InChIKeyIZJPSALVTITHHP-QNLPYAOMSA-N
XLogP6.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The IUPAC name of 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole (CID 175777360) is 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole.
What is the SMILES notation for 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The canonical SMILES for 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole is [2H]C1N(Cc2c(C)cc(C)cc2C)C=CN1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
The InChIKey is IZJPSALVTITHHP-QNLPYAOMSA-N. The full InChI is InChI=1S/C25H34N2/c1-17(2)22-9-8-10-23(18(3)4)25(22)27-12-11-26(16-27)15-24-20(6)13-19(5)14-21(24)7/h8-14,17-18H,15-16H2,1-7H3/i16D.
What are the key properties of 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole?
2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole has a molecular weight of 363.57 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole is sourced from PubChem (CID 175777360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).