3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine

C18H21N3 — CID 62226168

IUPAC3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine
SMILESCc1nc(-c2ccc3ccccc3c2)c(N)n1C(C)(C)C
InChIInChI=1S/C18H21N3/c1-12-20-16(17(19)21(12)18(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,19H2,1-4H3
InChIKeyVERNJMPOQGVIHN-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.35
Rot. Bonds1

About 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine

3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine (PubChem CID 62226168) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine
PubChem CID62226168
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine
SMILESCc1nc(-c2ccc3ccccc3c2)c(N)n1C(C)(C)C
InChIInChI=1S/C18H21N3/c1-12-20-16(17(19)21(12)18(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,19H2,1-4H3
InChIKeyVERNJMPOQGVIHN-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-3-tert-butyl-2-methylimidazol-4-amine
CID 55048113
3-tert-butyl-5-(3-chloro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65022186
3-tert-butyl-5-(3,5-difluorophenyl)-2-methylimidazol-4-amine
CID 106531898
4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
CID 55048115
4-tert-butyl-3-naphthalen-2-yl-1H-1,2,4-triazole-5-thione
CID 115390750
2,3-diethyl-5-naphthalen-2-ylimidazol-4-amine
CID 62225265
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2-ethyl-5-naphthalen-2-yl-3-propylimidazol-4-amine
CID 62224711
5-(6-methoxynaphthalen-2-yl)-2,3-dimethylimidazol-4-amine
CID 62226138
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
2,3-dimethyl-5-(2-methylquinolin-6-yl)imidazol-4-amine
CID 105379314
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine (CID 62226168) is 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine is Cc1nc(-c2ccc3ccccc3c2)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine?
The InChIKey is VERNJMPOQGVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-20-16(17(19)21(12)18(2,3)4)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,19H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine?
3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine has a molecular weight of 279.39 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-5-naphthalen-2-ylimidazol-4-amine is sourced from PubChem (CID 62226168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).