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

C26H31N5 — CID 11269940

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C26H31N5/c1-3-8-21(9-4-1)25(22-10-5-2-6-11-22)13-14-26-29-19-24(31-26)15-17-27-16-7-12-23-18-28-20-30-23/h1-6,8-11,18-20,25,27H,7,12-17H2,(H,28,30)(H,29,31)
InChIKeyIZMLYGSWTATOPU-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.66
Rot. Bonds12

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

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 11269940) has the molecular formula C26H31N5 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine
PubChem CID11269940
Molecular FormulaC26H31N5
Molecular Weight413.57 g/mol
Exact Mass413.26
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C26H31N5/c1-3-8-21(9-4-1)25(22-10-5-2-6-11-22)13-14-26-29-19-24(31-26)15-17-27-16-7-12-23-18-28-20-30-23/h1-6,8-11,18-20,25,27H,7,12-17H2,(H,28,30)(H,29,31)
InChIKeyIZMLYGSWTATOPU-UHFFFAOYSA-N
XLogP4.66
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine (CID 11269940) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine is c1ccc(C(CCc2ncc(CCNCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine?
The InChIKey is IZMLYGSWTATOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5/c1-3-8-21(9-4-1)25(22-10-5-2-6-11-22)13-14-26-29-19-24(31-26)15-17-27-16-7-12-23-18-28-20-30-23/h1-6,8-11,18-20,25,27H,7,12-17H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-3-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 413.57 g/mol, XLogP of 4.66, 12 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]-3-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 11269940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).