3-benzyl-5-tert-butyl-2-methylimidazol-4-amine

C15H21N3 — CID 62225821

IUPAC3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
SMILESCc1nc(C(C)(C)C)c(N)n1Cc1ccccc1
InChIInChI=1S/C15H21N3/c1-11-17-13(15(2,3)4)14(16)18(11)10-12-8-6-5-7-9-12/h5-9H,10,16H2,1-4H3
InChIKeyYLUPTYNINUJRRG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.12
Rot. Bonds2

About 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine

3-benzyl-5-tert-butyl-2-methylimidazol-4-amine (PubChem CID 62225821) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
PubChem CID62225821
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-benzyl-5-tert-butyl-2-methylimidazol-4-amine
SMILESCc1nc(C(C)(C)C)c(N)n1Cc1ccccc1
InChIInChI=1S/C15H21N3/c1-11-17-13(15(2,3)4)14(16)18(11)10-12-8-6-5-7-9-12/h5-9H,10,16H2,1-4H3
InChIKeyYLUPTYNINUJRRG-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
CID 55048678
3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62384468
5-tert-butyl-2-phenyl-3-prop-2-enylimidazol-4-amine
CID 62222452
3-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylimidazol-4-amine
CID 113268833
2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
CID 98009878
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
6-amino-9-benzyl-8-methyl-1H-purine-2-thione
CID 90376874
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 113229441
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine?
The IUPAC name of 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine (CID 62225821) is 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine?
The canonical SMILES for 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine is Cc1nc(C(C)(C)C)c(N)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine?
The InChIKey is YLUPTYNINUJRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-17-13(15(2,3)4)14(16)18(11)10-12-8-6-5-7-9-12/h5-9H,10,16H2,1-4H3.
What are the key properties of 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine?
3-benzyl-5-tert-butyl-2-methylimidazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-tert-butyl-2-methylimidazol-4-amine is sourced from PubChem (CID 62225821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).