1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole

C13H24N2 — CID 174706124

IUPAC1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole
SMILESCCCC(C)(C)c1cn(C(C)CC)cn1
InChIInChI=1S/C13H24N2/c1-6-8-13(4,5)12-9-15(10-14-12)11(3)7-2/h9-11H,6-8H2,1-5H3
InChIKeyTYKBWIFMCWVXOJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.93
Rot. Bonds5

About 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole

1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole (PubChem CID 174706124) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole
PubChem CID174706124
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole
SMILESCCCC(C)(C)c1cn(C(C)CC)cn1
InChIInChI=1S/C13H24N2/c1-6-8-13(4,5)12-9-15(10-14-12)11(3)7-2/h9-11H,6-8H2,1-5H3
InChIKeyTYKBWIFMCWVXOJ-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.93
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-4-(2-methylpentan-2-yl)imidazole?
The IUPAC name of 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole (CID 174706124) is 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole.
What is the SMILES notation for 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole?
The canonical SMILES for 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole is CCCC(C)(C)c1cn(C(C)CC)cn1.
What is the InChIKey of 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole?
The InChIKey is TYKBWIFMCWVXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-13(4,5)12-9-15(10-14-12)11(3)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole?
1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole is sourced from PubChem (CID 174706124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).