1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole

C18H32N4 — CID 161251698

IUPAC1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole
SMILESCCc1nc(C(C)C)c(C)[nH]1.CCn1cc(C(C)C)nc1C
InChIInChI=1S/2C9H16N2/c1-5-11-6-9(7(2)3)10-8(11)4;1-5-8-10-7(4)9(11-8)6(2)3/h6-7H,5H2,1-4H3;6H,5H2,1-4H3,(H,10,11)
InChIKeyVBIXXSBKUYJEAH-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.74
Rot. Bonds4

About 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole

1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole (PubChem CID 161251698) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole
PubChem CID161251698
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole
SMILESCCc1nc(C(C)C)c(C)[nH]1.CCn1cc(C(C)C)nc1C
InChIInChI=1S/2C9H16N2/c1-5-11-6-9(7(2)3)10-8(11)4;1-5-8-10-7(4)9(11-8)6(2)3/h6-7H,5H2,1-4H3;6H,5H2,1-4H3,(H,10,11)
InChIKeyVBIXXSBKUYJEAH-UHFFFAOYSA-N
XLogP4.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole?
The IUPAC name of 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole (CID 161251698) is 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole is CCc1nc(C(C)C)c(C)[nH]1.CCn1cc(C(C)C)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole?
The InChIKey is VBIXXSBKUYJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2/c1-5-11-6-9(7(2)3)10-8(11)4;1-5-8-10-7(4)9(11-8)6(2)3/h6-7H,5H2,1-4H3;6H,5H2,1-4H3,(H,10,11).
What are the key properties of 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole?
1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole has a molecular weight of 304.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 161251698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).