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

C22H27N3 — CID 10042467

IUPAC2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
InChIKeyGNBOIGBQIBQOIA-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.28
Rot. Bonds8

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

2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine (PubChem CID 10042467) 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,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine
PubChem CID10042467
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
InChIKeyGNBOIGBQIBQOIA-UHFFFAOYSA-N
XLogP4.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine (CID 10042467) is 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine is CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine?
The InChIKey is GNBOIGBQIBQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine?
2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine has a molecular weight of 333.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 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,N-dimethylethanamine is sourced from PubChem (CID 10042467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).