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

C21H25N3 — CID 10403687

IUPAC2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
InChIKeyYMVWDVNGNLXSKR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.94
Rot. Bonds8

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

2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine (PubChem CID 10403687) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine
PubChem CID10403687
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
InChIKeyYMVWDVNGNLXSKR-UHFFFAOYSA-N
XLogP3.94
TPSA40.71 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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
4-Phenylimidazole
CID 69590
Detomidine
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2-(3-Trifluoromethylphenyl)histamine
CID 5310982
Atipamezole Hydrochloride
CID 13649426
4-benzyl-1H-imidazole
CID 594090
FR-79620
CID 10421577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine (CID 10403687) is 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine is CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine?
The InChIKey is YMVWDVNGNLXSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24).
What are the key properties of 2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine?
2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-methylethanamine has a molecular weight of 319.45 g/mol, XLogP of 3.94, 8 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-methylethanamine is sourced from PubChem (CID 10403687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).