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

C27H30N4 — CID 11269875

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine
SMILESc1ccc(C(CCc2ncc(CCNCCc3cccnc3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)13-14-27-30-21-25(31-27)16-19-28-18-15-22-8-7-17-29-20-22/h1-12,17,20-21,26,28H,13-16,18-19H2,(H,30,31)
InChIKeyBYIKGUJPJAOQIC-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.94
Rot. Bonds11

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

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine (PubChem CID 11269875) has the molecular formula C27H30N4 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine
PubChem CID11269875
Molecular FormulaC27H30N4
Molecular Weight410.57 g/mol
Exact Mass410.25
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine
SMILESc1ccc(C(CCc2ncc(CCNCCc3cccnc3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)13-14-27-30-21-25(31-27)16-19-28-18-15-22-8-7-17-29-20-22/h1-12,17,20-21,26,28H,13-16,18-19H2,(H,30,31)
InChIKeyBYIKGUJPJAOQIC-UHFFFAOYSA-N
XLogP4.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine (CID 11269875) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine is c1ccc(C(CCc2ncc(CCNCCc3cccnc3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine?
The InChIKey is BYIKGUJPJAOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)13-14-27-30-21-25(31-27)16-19-28-18-15-22-8-7-17-29-20-22/h1-12,17,20-21,26,28H,13-16,18-19H2,(H,30,31).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-pyridin-3-ylethanamine has a molecular weight of 410.57 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 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-pyridin-3-ylethanamine is sourced from PubChem (CID 11269875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).