4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine

C22H28N4 — CID 118180240

IUPAC4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
SMILESCc1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C22H28N4/c1-18-8-10-19(11-9-18)21(22-7-3-5-14-25-22)12-15-23-13-4-2-6-20-16-24-17-26-20/h3,5,7-11,14,16-17,21,23H,2,4,6,12-13,15H2,1H3,(H,24,26)
InChIKeyHESMUAXQZIETFZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.25
Rot. Bonds10

About 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine

4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine (PubChem CID 118180240) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
PubChem CID118180240
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine
SMILESCc1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C22H28N4/c1-18-8-10-19(11-9-18)21(22-7-3-5-14-25-22)12-15-23-13-4-2-6-20-16-24-17-26-20/h3,5,7-11,14,16-17,21,23H,2,4,6,12-13,15H2,1H3,(H,24,26)
InChIKeyHESMUAXQZIETFZ-UHFFFAOYSA-N
XLogP4.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.25
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

5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
CID 10780854
1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
CID 57132350
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056
ethyl N-[N-[3-(3,4-difluorophenyl)-3-pyridin-2-ylpropyl]-N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]carbamate
CID 54545235
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
CID 11741669
tert-butyl N-[N-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-N-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]carbamate
CID 173249893
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 11499453
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
CID 10294153
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
CID 160811197
6-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 10506132

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine (CID 118180240) is 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine is Cc1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine?
The InChIKey is HESMUAXQZIETFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-18-8-10-19(11-9-18)21(22-7-3-5-14-25-22)12-15-23-13-4-2-6-20-16-24-17-26-20/h3,5,7-11,14,16-17,21,23H,2,4,6,12-13,15H2,1H3,(H,24,26).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine?
4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine has a molecular weight of 348.49 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[3-(4-methylphenyl)-3-pyridin-2-ylpropyl]butan-1-amine is sourced from PubChem (CID 118180240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).