5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole

C13H24N2 — CID 142042012

IUPAC5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole
SMILESCCC(C)c1cncn1C(CC)C(C)C
InChIInChI=1S/C13H24N2/c1-6-11(5)13-8-14-9-15(13)12(7-2)10(3)4/h8-12H,6-7H2,1-5H3
InChIKeyBPIQIKMBEPXNOH-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.00
Rot. Bonds5

About 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole

5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole (PubChem CID 142042012) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole
PubChem CID142042012
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole
SMILESCCC(C)c1cncn1C(CC)C(C)C
InChIInChI=1S/C13H24N2/c1-6-11(5)13-8-14-9-15(13)12(7-2)10(3)4/h8-12H,6-7H2,1-5H3
InChIKeyBPIQIKMBEPXNOH-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
CID 66148631
2-methyl-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66148627
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
CID 104943762
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163612
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888
1-propan-2-yl-5-propylimidazole
CID 139308338
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163812
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole?
The IUPAC name of 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole (CID 142042012) is 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole.
What is the SMILES notation for 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole?
The canonical SMILES for 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole is CCC(C)c1cncn1C(CC)C(C)C.
What is the InChIKey of 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole?
The InChIKey is BPIQIKMBEPXNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11(5)13-8-14-9-15(13)12(7-2)10(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole?
5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole has a molecular weight of 208.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole is sourced from PubChem (CID 142042012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).