4-(3-methylbutyl)-1-(2-methylpropyl)imidazole

C12H22N2 — CID 159067201

IUPAC4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
SMILESCC(C)CCc1cn(CC(C)C)cn1
InChIInChI=1S/C12H22N2/c1-10(2)5-6-12-8-14(9-13-12)7-11(3)4/h8-11H,5-7H2,1-4H3
InChIKeyZXZBYNACXQVAQB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds5

About 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole

4-(3-methylbutyl)-1-(2-methylpropyl)imidazole (PubChem CID 159067201) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
PubChem CID159067201
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
SMILESCC(C)CCc1cn(CC(C)C)cn1
InChIInChI=1S/C12H22N2/c1-10(2)5-6-12-8-14(9-13-12)7-11(3)4/h8-11H,5-7H2,1-4H3
InChIKeyZXZBYNACXQVAQB-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-1-(3-methylbutyl)imidazole
CID 164535740
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
1-(2-methylpropyl)imidazol-4-amine;hydrochloride
CID 86276624
4-(chloromethyl)-1-(2-methoxypropyl)imidazole
CID 106720806
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 106717444
N-[2-[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985115
N-ethyl-2-[1-(2-methylbutyl)imidazol-4-yl]ethanamine
CID 79984937
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
2-[1-(3-methylbutyl)imidazol-4-yl]acetic acid
CID 70036938

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole?
The IUPAC name of 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole (CID 159067201) is 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole?
The canonical SMILES for 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole is CC(C)CCc1cn(CC(C)C)cn1.
What is the InChIKey of 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole?
The InChIKey is ZXZBYNACXQVAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)5-6-12-8-14(9-13-12)7-11(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole?
4-(3-methylbutyl)-1-(2-methylpropyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 159067201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).