1-butan-2-yl-3-methyl-2H-imidazole

C8H16N2 — CID 22468328

IUPAC1-butan-2-yl-3-methyl-2H-imidazole
SMILESCCC(C)N1C=CN(C)C1
InChIInChI=1S/C8H16N2/c1-4-8(2)10-6-5-9(3)7-10/h5-6,8H,4,7H2,1-3H3
InChIKeyFEEXIQQVKVSUAW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.46
Rot. Bonds2

About 1-butan-2-yl-3-methyl-2H-imidazole

1-butan-2-yl-3-methyl-2H-imidazole (PubChem CID 22468328) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-butan-2-yl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-butan-2-yl-3-methyl-2H-imidazole
PubChem CID22468328
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-butan-2-yl-3-methyl-2H-imidazole
SMILESCCC(C)N1C=CN(C)C1
InChIInChI=1S/C8H16N2/c1-4-8(2)10-6-5-9(3)7-10/h5-6,8H,4,7H2,1-3H3
InChIKeyFEEXIQQVKVSUAW-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-methyl-2H-imidazole?
The IUPAC name of 1-butan-2-yl-3-methyl-2H-imidazole (CID 22468328) is 1-butan-2-yl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-butan-2-yl-3-methyl-2H-imidazole?
The canonical SMILES for 1-butan-2-yl-3-methyl-2H-imidazole is CCC(C)N1C=CN(C)C1.
What is the InChIKey of 1-butan-2-yl-3-methyl-2H-imidazole?
The InChIKey is FEEXIQQVKVSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(2)10-6-5-9(3)7-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-methyl-2H-imidazole?
1-butan-2-yl-3-methyl-2H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-methyl-2H-imidazole is sourced from PubChem (CID 22468328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).