2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine

C16H23N3 — CID 79811410

IUPAC2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C16H23N3/c1-6-16(5,17)15-18-9-14(19-15)13-8-11(3)10(2)7-12(13)4/h7-9H,6,17H2,1-5H3,(H,18,19)
InChIKeyCBPIQPKACRBLPU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds3

About 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine

2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine (PubChem CID 79811410) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine
PubChem CID79811410
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C16H23N3/c1-6-16(5,17)15-18-9-14(19-15)13-8-11(3)10(2)7-12(13)4/h7-9H,6,17H2,1-5H3,(H,18,19)
InChIKeyCBPIQPKACRBLPU-UHFFFAOYSA-N
XLogP3.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine?
The IUPAC name of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine (CID 79811410) is 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine is CCC(C)(N)c1ncc(-c2cc(C)c(C)cc2C)[nH]1.
What is the InChIKey of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine?
The InChIKey is CBPIQPKACRBLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-16(5,17)15-18-9-14(19-15)13-8-11(3)10(2)7-12(13)4/h7-9H,6,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine?
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 79811410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).