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

C25H29N5 — CID 11741669

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESc1ccc(C(CCc2ncc(CCNCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C25H29N5/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)11-12-25-28-18-23(30-25)14-16-26-15-13-22-17-27-19-29-22/h1-10,17-19,24,26H,11-16H2,(H,27,29)(H,28,30)
InChIKeyIECPJVGHHUNYNJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.27
Rot. Bonds11

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

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 11741669) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID11741669
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESc1ccc(C(CCc2ncc(CCNCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C25H29N5/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)11-12-25-28-18-23(30-25)14-16-26-15-13-22-17-27-19-29-22/h1-10,17-19,24,26H,11-16H2,(H,27,29)(H,28,30)
InChIKeyIECPJVGHHUNYNJ-UHFFFAOYSA-N
XLogP4.27
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine
CID 11407994
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
CID 118180240
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
CID 10780854
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65232025
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
CID 14535975

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine (CID 11741669) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine is c1ccc(C(CCc2ncc(CCNCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is IECPJVGHHUNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-3-7-20(8-4-1)24(21-9-5-2-6-10-21)11-12-25-28-18-23(30-25)14-16-26-15-13-22-17-27-19-29-22/h1-10,17-19,24,26H,11-16H2,(H,27,29)(H,28,30).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 399.54 g/mol, XLogP of 4.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 11741669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).