1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole

C15H17N5 — CID 51354873

IUPAC1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1
InChIInChI=1S/C15H17N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,16,17)
InChIKeyDVFOKMURHSLYHD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.22
Rot. Bonds6

About 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole

1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole (PubChem CID 51354873) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole.

Molecular Properties

Compound Name1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole
PubChem CID51354873
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1
InChIInChI=1S/C15H17N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,16,17)
InChIKeyDVFOKMURHSLYHD-UHFFFAOYSA-N
XLogP2.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole with MolForge

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

Launch Full Analysis

Related Compounds

Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
4-benzyl-1H-imidazole
CID 594090
4-(4-fluorophenyl)-1H-imidazole
CID 657876
FR-79620
CID 10421577
Arpromidine
CID 65895
4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole
CID 46222045
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
2,4-Diphenylimidazole
CID 296732
4-Methyl-2-phenyl-1H-imidazole
CID 70012

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The IUPAC name of 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole (CID 51354873) is 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole.
What is the SMILES notation for 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The canonical SMILES for 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole is c1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The InChIKey is DVFOKMURHSLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h1-3,5-6,9,11-12H,4,7-8,10H2,(H,16,17).
What are the key properties of 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole?
1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole has a molecular weight of 267.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(1H-imidazol-5-yl)propyl]triazole is sourced from PubChem (CID 51354873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).