2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol

C19H23N3OS — CID 16676836

IUPAC2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccccc2O)s1
InChIInChI=1S/C19H23N3OS/c1-16-7-8-18(24-16)14-22(11-4-10-21-12-9-20-15-21)13-17-5-2-3-6-19(17)23/h2-3,5-9,12,15,23H,4,10-11,13-14H2,1H3
InChIKeyJZUHOEVAXUHDMJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.05
Rot. Bonds8

About 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol

2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol (PubChem CID 16676836) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol
PubChem CID16676836
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2ccccc2O)s1
InChIInChI=1S/C19H23N3OS/c1-16-7-8-18(24-16)14-22(11-4-10-21-12-9-20-15-21)13-17-5-2-3-6-19(17)23/h2-3,5-9,12,15,23H,4,10-11,13-14H2,1H3
InChIKeyJZUHOEVAXUHDMJ-UHFFFAOYSA-N
XLogP4.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol 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 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol (CID 16676836) is 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol is Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2O)s1.
What is the InChIKey of 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol?
The InChIKey is JZUHOEVAXUHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-16-7-8-18(24-16)14-22(11-4-10-21-12-9-20-15-21)13-17-5-2-3-6-19(17)23/h2-3,5-9,12,15,23H,4,10-11,13-14H2,1H3.
What are the key properties of 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol?
2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol has a molecular weight of 341.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 16676836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).