2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine

C21H25N3 — CID 10471211

IUPAC2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c22-15-14-19-16-23-21(24-19)13-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,20H,7,12-15,22H2,(H,23,24)
InChIKeyWPUIFWUHNWGBNW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.07
Rot. Bonds8

About 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine

2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10471211) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine
PubChem CID10471211
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(CCCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c22-15-14-19-16-23-21(24-19)13-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,20H,7,12-15,22H2,(H,23,24)
InChIKeyWPUIFWUHNWGBNW-UHFFFAOYSA-N
XLogP4.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine (CID 10471211) is 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(CCCC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is WPUIFWUHNWGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c22-15-14-19-16-23-21(24-19)13-7-12-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,20H,7,12-15,22H2,(H,23,24).
What are the key properties of 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 319.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-diphenylbutyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10471211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).