2-butyl-1-methyl-3-propan-2-yl-2H-imidazole

C11H22N2 — CID 69391074

IUPAC2-butyl-1-methyl-3-propan-2-yl-2H-imidazole
SMILESCCCCC1N(C)C=CN1C(C)C
InChIInChI=1S/C11H22N2/c1-5-6-7-11-12(4)8-9-13(11)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyDWNUQYWWCKLGJZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.63
Rot. Bonds4

About 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole

2-butyl-1-methyl-3-propan-2-yl-2H-imidazole (PubChem CID 69391074) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1-methyl-3-propan-2-yl-2H-imidazole
PubChem CID69391074
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-butyl-1-methyl-3-propan-2-yl-2H-imidazole
SMILESCCCCC1N(C)C=CN1C(C)C
InChIInChI=1S/C11H22N2/c1-5-6-7-11-12(4)8-9-13(11)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyDWNUQYWWCKLGJZ-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole (CID 69391074) is 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole is CCCCC1N(C)C=CN1C(C)C.
What is the InChIKey of 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole?
The InChIKey is DWNUQYWWCKLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-7-11-12(4)8-9-13(11)10(2)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole?
2-butyl-1-methyl-3-propan-2-yl-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69391074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).