2,5-di(propan-2-yl)-1H-imidazole

C18H32N4 — CID 161147285

IUPAC2,5-di(propan-2-yl)-1H-imidazole
SMILESCC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1
InChIInChI=1S/2C9H16N2/c2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-7H,1-4H3,(H,10,11)
InChIKeyUOFLOXMPBFMHHV-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.31
Rot. Bonds4

About 2,5-di(propan-2-yl)-1H-imidazole

2,5-di(propan-2-yl)-1H-imidazole (PubChem CID 161147285) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole
PubChem CID161147285
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole
SMILESCC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1
InChIInChI=1S/2C9H16N2/c2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-7H,1-4H3,(H,10,11)
InChIKeyUOFLOXMPBFMHHV-UHFFFAOYSA-N
XLogP5.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole (CID 161147285) is 2,5-di(propan-2-yl)-1H-imidazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole is CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole?
The InChIKey is UOFLOXMPBFMHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2/c2*1-6(2)8-5-10-9(11-8)7(3)4/h2*5-7H,1-4H3,(H,10,11).
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole?
2,5-di(propan-2-yl)-1H-imidazole has a molecular weight of 304.48 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole is sourced from PubChem (CID 161147285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).