4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole

C16H30N2 — CID 66723333

IUPAC4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCC(C)c1nc(C(C)C)[nH]c1C(C)CCC
InChIInChI=1S/C16H30N2/c1-7-9-12(5)14-15(13(6)10-8-2)18-16(17-14)11(3)4/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyPPNYCQYWRAOSMG-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.34
Rot. Bonds7

About 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole

4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole (PubChem CID 66723333) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole
PubChem CID66723333
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCC(C)c1nc(C(C)C)[nH]c1C(C)CCC
InChIInChI=1S/C16H30N2/c1-7-9-12(5)14-15(13(6)10-8-2)18-16(17-14)11(3)4/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyPPNYCQYWRAOSMG-UHFFFAOYSA-N
XLogP5.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole?
The IUPAC name of 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole (CID 66723333) is 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole is CCCC(C)c1nc(C(C)C)[nH]c1C(C)CCC.
What is the InChIKey of 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole?
The InChIKey is PPNYCQYWRAOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-9-12(5)14-15(13(6)10-8-2)18-16(17-14)11(3)4/h11-13H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole?
4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole has a molecular weight of 250.43 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 66723333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).