5-(3-benzhydryloxypropyl)-1H-imidazole

C19H20N2O — CID 21193534

IUPAC5-(3-benzhydryloxypropyl)-1H-imidazole
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
InChIKeyLJIRQKCQUPMGIY-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.15
Rot. Bonds7

About 5-(3-benzhydryloxypropyl)-1H-imidazole

5-(3-benzhydryloxypropyl)-1H-imidazole (PubChem CID 21193534) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(3-benzhydryloxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-benzhydryloxypropyl)-1H-imidazole
PubChem CID21193534
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(3-benzhydryloxypropyl)-1H-imidazole
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
InChIKeyLJIRQKCQUPMGIY-UHFFFAOYSA-N
XLogP4.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-benzhydryloxypropyl)-1H-imidazole 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 5-(3-benzhydryloxypropyl)-1H-imidazole?
The IUPAC name of 5-(3-benzhydryloxypropyl)-1H-imidazole (CID 21193534) is 5-(3-benzhydryloxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-benzhydryloxypropyl)-1H-imidazole?
The canonical SMILES for 5-(3-benzhydryloxypropyl)-1H-imidazole is c1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1.
What is the InChIKey of 5-(3-benzhydryloxypropyl)-1H-imidazole?
The InChIKey is LJIRQKCQUPMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21).
What are the key properties of 5-(3-benzhydryloxypropyl)-1H-imidazole?
5-(3-benzhydryloxypropyl)-1H-imidazole has a molecular weight of 292.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzhydryloxypropyl)-1H-imidazole is sourced from PubChem (CID 21193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).