2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine

C17H25N3 — CID 95474591

IUPAC2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C(C)(C)C)ccc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-12-6-7-13(17(2,3)4)10-14(12)15-11-19-16(20-15)8-9-18-5/h6-7,10-11,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyBUEJKDNNRPHVJA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.44
Rot. Bonds4

About 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine

2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 95474591) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID95474591
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2cc(C(C)(C)C)ccc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-12-6-7-13(17(2,3)4)10-14(12)15-11-19-16(20-15)8-9-18-5/h6-7,10-11,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyBUEJKDNNRPHVJA-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine (CID 95474591) is 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2cc(C(C)(C)C)ccc2C)[nH]1.
What is the InChIKey of 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is BUEJKDNNRPHVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-6-7-13(17(2,3)4)10-14(12)15-11-19-16(20-15)8-9-18-5/h6-7,10-11,18H,8-9H2,1-5H3,(H,19,20).
What are the key properties of 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 95474591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).