N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine

C29H34N4 — CID 10410901

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3ccccn3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)
InChIKeyXPTQCQILQOIXEE-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.72
Rot. Bonds13

About N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine (PubChem CID 10410901) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine
PubChem CID10410901
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3ccccn3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)
InChIKeyXPTQCQILQOIXEE-UHFFFAOYSA-N
XLogP5.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.72
H-Bond Donors ≤ 52
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]-4-pyridin-2-ylbutan-1-amine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine (CID 10410901) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine is c1ccc(C(CCc2ncc(CCNCCCCc3ccccn3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine?
The InChIKey is XPTQCQILQOIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-2-ylbutan-1-amine has a molecular weight of 438.62 g/mol, XLogP of 5.72, 13 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]-4-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 10410901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).