2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine

C17H25N3 — CID 60848912

IUPAC2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-6-7-17(5,18)16-19-10-14(20-16)15-12(3)8-11(2)9-13(15)4/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyIDUZAKCYNNURED-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.98
Rot. Bonds4

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

2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine (PubChem CID 60848912) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine
PubChem CID60848912
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-6-7-17(5,18)16-19-10-14(20-16)15-12(3)8-11(2)9-13(15)4/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyIDUZAKCYNNURED-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The IUPAC name of 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine (CID 60848912) is 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine.
What is the SMILES notation for 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The canonical SMILES for 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine is CCCC(C)(N)c1ncc(-c2c(C)cc(C)cc2C)[nH]1.
What is the InChIKey of 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine?
The InChIKey is IDUZAKCYNNURED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-7-17(5,18)16-19-10-14(20-16)15-12(3)8-11(2)9-13(15)4/h8-10H,6-7,18H2,1-5H3,(H,19,20).
What are the key properties of 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine?
2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]pentan-2-amine is sourced from PubChem (CID 60848912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).