5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole

C16H30N2 — CID 66723609

IUPAC5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)C)c(C(C)CC)[nH]1
InChIInChI=1S/C16H30N2/c1-8-10-16(6,7)15-17-13(11(3)4)14(18-15)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,17,18)
InChIKeyPUMYAXGECHYJAE-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.12
Rot. Bonds6

About 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole

5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole (PubChem CID 66723609) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole
PubChem CID66723609
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)C)c(C(C)CC)[nH]1
InChIInChI=1S/C16H30N2/c1-8-10-16(6,7)15-17-13(11(3)4)14(18-15)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,17,18)
InChIKeyPUMYAXGECHYJAE-UHFFFAOYSA-N
XLogP5.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole?
The IUPAC name of 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole (CID 66723609) is 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole is CCCC(C)(C)c1nc(C(C)C)c(C(C)CC)[nH]1.
What is the InChIKey of 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole?
The InChIKey is PUMYAXGECHYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-8-10-16(6,7)15-17-13(11(3)4)14(18-15)12(5)9-2/h11-12H,8-10H2,1-7H3,(H,17,18).
What are the key properties of 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole?
5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole has a molecular weight of 250.43 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 66723609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).