1-(4,4-dimethylpentan-2-yl)imidazole

C10H18N2 — CID 118984043

IUPAC1-(4,4-dimethylpentan-2-yl)imidazole
SMILESCC(CC(C)(C)C)n1ccnc1
InChIInChI=1S/C10H18N2/c1-9(7-10(2,3)4)12-6-5-11-8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyHGXSKDIBQOENDZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.88
Rot. Bonds2

About 1-(4,4-dimethylpentan-2-yl)imidazole

1-(4,4-dimethylpentan-2-yl)imidazole (PubChem CID 118984043) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)imidazole.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)imidazole
PubChem CID118984043
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(4,4-dimethylpentan-2-yl)imidazole
SMILESCC(CC(C)(C)C)n1ccnc1
InChIInChI=1S/C10H18N2/c1-9(7-10(2,3)4)12-6-5-11-8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyHGXSKDIBQOENDZ-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-imidazol-1-yl-2-methyl-2-(propylamino)pentan-1-ol
CID 64810680
1-(2,2,5-trimethylhexan-3-yl)imidazole
CID 91156028
methyl 4-imidazol-1-yl-2-methyl-2-(propylamino)pentanoate
CID 64704484
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
2-imidazol-1-yl-N-propylpropan-1-amine
CID 62449251
1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentan-2-yl)imidazole?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)imidazole (CID 118984043) is 1-(4,4-dimethylpentan-2-yl)imidazole.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)imidazole?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)imidazole is CC(CC(C)(C)C)n1ccnc1.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)imidazole?
The InChIKey is HGXSKDIBQOENDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(7-10(2,3)4)12-6-5-11-8-12/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)imidazole?
1-(4,4-dimethylpentan-2-yl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)imidazole is sourced from PubChem (CID 118984043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).