1-(2-methylbutyl)imidazole

C8H14N2 — CID 59161437

IUPAC1-(2-methylbutyl)imidazole
SMILESCCC(C)Cn1ccnc1
InChIInChI=1S/C8H14N2/c1-3-8(2)6-10-5-4-9-7-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVNGVXQZJLFNBAF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.93
Rot. Bonds3

About 1-(2-methylbutyl)imidazole

1-(2-methylbutyl)imidazole (PubChem CID 59161437) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-methylbutyl)imidazole.

Molecular Properties

Compound Name1-(2-methylbutyl)imidazole
PubChem CID59161437
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(2-methylbutyl)imidazole
SMILESCCC(C)Cn1ccnc1
InChIInChI=1S/C8H14N2/c1-3-8(2)6-10-5-4-9-7-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVNGVXQZJLFNBAF-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
carbonic acid;1-(3-methylpentyl)imidazole
CID 175400753
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
1-(2-nitrobutyl)imidazole
CID 4916532
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-imidazol-1-ylpentan-2-amine
CID 62041882
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)imidazole?
The IUPAC name of 1-(2-methylbutyl)imidazole (CID 59161437) is 1-(2-methylbutyl)imidazole.
What is the SMILES notation for 1-(2-methylbutyl)imidazole?
The canonical SMILES for 1-(2-methylbutyl)imidazole is CCC(C)Cn1ccnc1.
What is the InChIKey of 1-(2-methylbutyl)imidazole?
The InChIKey is VNGVXQZJLFNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(2)6-10-5-4-9-7-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)imidazole?
1-(2-methylbutyl)imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)imidazole is sourced from PubChem (CID 59161437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).