2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine

C22H27N3 — CID 10688111

IUPAC2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-2-23-16-15-20-17-24-22(25-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21,23H,2,13-16H2,1H3,(H,24,25)
InChIKeyHANVENUBICTJAH-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.33
Rot. Bonds9

About 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine

2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine (PubChem CID 10688111) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine
PubChem CID10688111
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-2-23-16-15-20-17-24-22(25-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21,23H,2,13-16H2,1H3,(H,24,25)
InChIKeyHANVENUBICTJAH-UHFFFAOYSA-N
XLogP4.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine (CID 10688111) is 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine is CCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine?
The InChIKey is HANVENUBICTJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-2-23-16-15-20-17-24-22(25-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21,23H,2,13-16H2,1H3,(H,24,25).
What are the key properties of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine?
2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine has a molecular weight of 333.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 10688111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).