4-butyl-1-(3-methylbutyl)imidazole

C12H22N2 — CID 164535740

IUPAC4-butyl-1-(3-methylbutyl)imidazole
SMILESCCCCc1cn(CCC(C)C)cn1
InChIInChI=1S/C12H22N2/c1-4-5-6-12-9-14(10-13-12)8-7-11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQFBZTVRZCQESQI-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds6

About 4-butyl-1-(3-methylbutyl)imidazole

4-butyl-1-(3-methylbutyl)imidazole (PubChem CID 164535740) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-butyl-1-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name4-butyl-1-(3-methylbutyl)imidazole
PubChem CID164535740
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-butyl-1-(3-methylbutyl)imidazole
SMILESCCCCc1cn(CCC(C)C)cn1
InChIInChI=1S/C12H22N2/c1-4-5-6-12-9-14(10-13-12)8-7-11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQFBZTVRZCQESQI-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-1-(3-methylbutyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
2-[1-(3-methylbutyl)imidazol-4-yl]acetic acid
CID 70036938
4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
CID 159067201
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
1,4-dipropylimidazole;ethane
CID 165398933
(1-butylimidazol-4-yl)methanamine
CID 82467842
N-[2-[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985115
ethane;4-ethyl-1-pentylimidazole
CID 142090904
2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 22352289

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(3-methylbutyl)imidazole?
The IUPAC name of 4-butyl-1-(3-methylbutyl)imidazole (CID 164535740) is 4-butyl-1-(3-methylbutyl)imidazole.
What is the SMILES notation for 4-butyl-1-(3-methylbutyl)imidazole?
The canonical SMILES for 4-butyl-1-(3-methylbutyl)imidazole is CCCCc1cn(CCC(C)C)cn1.
What is the InChIKey of 4-butyl-1-(3-methylbutyl)imidazole?
The InChIKey is QFBZTVRZCQESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-12-9-14(10-13-12)8-7-11(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-butyl-1-(3-methylbutyl)imidazole?
4-butyl-1-(3-methylbutyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(3-methylbutyl)imidazole is sourced from PubChem (CID 164535740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).