2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine

C17H25N3 — CID 95474593

IUPAC2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(C(C)C)[nH]c2CCN)c(C)c1
InChIInChI=1S/C17H25N3/c1-10(2)17-19-14(6-7-18)16(20-17)15-12(4)8-11(3)9-13(15)5/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyDFSHYMOPSWTNIX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds4

About 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine

2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 95474593) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID95474593
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(C(C)C)[nH]c2CCN)c(C)c1
InChIInChI=1S/C17H25N3/c1-10(2)17-19-14(6-7-18)16(20-17)15-12(4)8-11(3)9-13(15)5/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyDFSHYMOPSWTNIX-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
2-[2-methyl-4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82130395
3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
CID 82306427
2-[4-(2,4-dimethylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82288567
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
2,5-dimethyl-4-(2,4,6-trimethylphenyl)-1H-imidazole
CID 22935263
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82305674

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine (CID 95474593) is 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine is Cc1cc(C)c(-c2nc(C(C)C)[nH]c2CCN)c(C)c1.
What is the InChIKey of 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is DFSHYMOPSWTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-10(2)17-19-14(6-7-18)16(20-17)15-12(4)8-11(3)9-13(15)5/h8-10H,6-7,18H2,1-5H3,(H,19,20).
What are the key properties of 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine?
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95474593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).