5-benzyl-1-(3,3-dimethylbutyl)imidazole

C16H22N2 — CID 59892115

IUPAC5-benzyl-1-(3,3-dimethylbutyl)imidazole
SMILESCC(C)(C)CCn1cncc1Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-16(2,3)9-10-18-13-17-12-15(18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyUAIJEUBZBNVSKQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.91
Rot. Bonds4

About 5-benzyl-1-(3,3-dimethylbutyl)imidazole

5-benzyl-1-(3,3-dimethylbutyl)imidazole (PubChem CID 59892115) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-benzyl-1-(3,3-dimethylbutyl)imidazole.

Molecular Properties

Compound Name5-benzyl-1-(3,3-dimethylbutyl)imidazole
PubChem CID59892115
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-benzyl-1-(3,3-dimethylbutyl)imidazole
SMILESCC(C)(C)CCn1cncc1Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-16(2,3)9-10-18-13-17-12-15(18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyUAIJEUBZBNVSKQ-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
CID 66147325
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole
CID 113472626
3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol
CID 19904240
1-benzyl-5-butylimidazole
CID 10059100
5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
CID 54110123
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole
CID 67618517
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)imidazole
CID 155261577
5-benzyl-6-[2-(5-benzylimidazol-1-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 10225020

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3,3-dimethylbutyl)imidazole?
The IUPAC name of 5-benzyl-1-(3,3-dimethylbutyl)imidazole (CID 59892115) is 5-benzyl-1-(3,3-dimethylbutyl)imidazole.
What is the SMILES notation for 5-benzyl-1-(3,3-dimethylbutyl)imidazole?
The canonical SMILES for 5-benzyl-1-(3,3-dimethylbutyl)imidazole is CC(C)(C)CCn1cncc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-(3,3-dimethylbutyl)imidazole?
The InChIKey is UAIJEUBZBNVSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)9-10-18-13-17-12-15(18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 5-benzyl-1-(3,3-dimethylbutyl)imidazole?
5-benzyl-1-(3,3-dimethylbutyl)imidazole has a molecular weight of 242.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3,3-dimethylbutyl)imidazole is sourced from PubChem (CID 59892115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).