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

C29H34N4 — CID 11407994

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3cccnc3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4/c1-3-12-25(13-4-1)28(26-14-5-2-6-15-26)16-17-29-32-23-27(33-29)18-21-30-19-8-7-10-24-11-9-20-31-22-24/h1-6,9,11-15,20,22-23,28,30H,7-8,10,16-19,21H2,(H,32,33)
InChIKeyXKOSNVKVHLRJGE-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.72
Rot. Bonds13

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

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine (PubChem CID 11407994) 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-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine
PubChem CID11407994
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3cccnc3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4/c1-3-12-25(13-4-1)28(26-14-5-2-6-15-26)16-17-29-32-23-27(33-29)18-21-30-19-8-7-10-24-11-9-20-31-22-24/h1-6,9,11-15,20,22-23,28,30H,7-8,10,16-19,21H2,(H,32,33)
InChIKeyXKOSNVKVHLRJGE-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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Related Compounds

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
CID 11741669
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
CID 115407048
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-(5-methylhexyl)pyridine
CID 54316004
5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
CID 23051567
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine (CID 11407994) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine is c1ccc(C(CCc2ncc(CCNCCCCc3cccnc3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine?
The InChIKey is XKOSNVKVHLRJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1-3-12-25(13-4-1)28(26-14-5-2-6-15-26)16-17-29-32-23-27(33-29)18-21-30-19-8-7-10-24-11-9-20-31-22-24/h1-6,9,11-15,20,22-23,28,30H,7-8,10,16-19,21H2,(H,32,33).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-ylbutan-1-amine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-pyridin-3-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-3-ylbutan-1-amine is sourced from PubChem (CID 11407994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).