3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine

C18H27N3 — CID 63468560

IUPAC3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C18H27N3/c1-6-7-11-21-16(19)15(20-17(21)18(3,4)5)14-10-8-9-13(2)12-14/h8-10,12H,6-7,11,19H2,1-5H3
InChIKeyGPZOROKMXQCCOH-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.54
Rot. Bonds4

About 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine

3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine (PubChem CID 63468560) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
PubChem CID63468560
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C18H27N3/c1-6-7-11-21-16(19)15(20-17(21)18(3,4)5)14-10-8-9-13(2)12-14/h8-10,12H,6-7,11,19H2,1-5H3
InChIKeyGPZOROKMXQCCOH-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62218997
3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
CID 62220408
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
CID 79570429
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
CID 62222262
2-tert-butyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 62220774
3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 62226177
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine (CID 63468560) is 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine is CCCCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N.
What is the InChIKey of 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine?
The InChIKey is GPZOROKMXQCCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-7-11-21-16(19)15(20-17(21)18(3,4)5)14-10-8-9-13(2)12-14/h8-10,12H,6-7,11,19H2,1-5H3.
What are the key properties of 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine?
3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 63468560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).