2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole

C24H30N2 — CID 69408829

IUPAC2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole
SMILESCCn1ccnc1C(C(C)C)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2/c1-5-26-17-16-25-23(26)22(19(2)3)24(4,21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-17,19,22H,5,18H2,1-4H3
InChIKeyJRPYYJFGRAJFHL-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.84
Rot. Bonds7

About 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole

2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole (PubChem CID 69408829) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole
PubChem CID69408829
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole
SMILESCCn1ccnc1C(C(C)C)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2/c1-5-26-17-16-25-23(26)22(19(2)3)24(4,21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-17,19,22H,5,18H2,1-4H3
InChIKeyJRPYYJFGRAJFHL-UHFFFAOYSA-N
XLogP5.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole?
The IUPAC name of 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole (CID 69408829) is 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole.
What is the SMILES notation for 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole?
The canonical SMILES for 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole is CCn1ccnc1C(C(C)C)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole?
The InChIKey is JRPYYJFGRAJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-5-26-17-16-25-23(26)22(19(2)3)24(4,21-14-10-7-11-15-21)18-20-12-8-6-9-13-20/h6-17,19,22H,5,18H2,1-4H3.
What are the key properties of 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole?
2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole has a molecular weight of 346.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole is sourced from PubChem (CID 69408829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).