4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium

C18H22N3O+ — CID 21299544

IUPAC4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium
SMILESCc1ccc([N+](C)(CC2=NCCN2)c2cccc(O)c2)cc1
InChIInChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)21(2,13-18-19-10-11-20-18)16-4-3-5-17(22)12-16/h3-9,12H,10-11,13H2,1-2H3,(H-,19,20,22)/p+1
InChIKeyIWLNNLHOTOSFJD-UHFFFAOYSA-O
MW296.39 g/mol
LogP2.97
Rot. Bonds4

About 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium

4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium (PubChem CID 21299544) has the molecular formula C18H22N3O+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium
PubChem CID21299544
Molecular FormulaC18H22N3O+
Molecular Weight296.39 g/mol
Exact Mass296.18
IUPAC Name4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium
SMILESCc1ccc([N+](C)(CC2=NCCN2)c2cccc(O)c2)cc1
InChIInChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)21(2,13-18-19-10-11-20-18)16-4-3-5-17(22)12-16/h3-9,12H,10-11,13H2,1-2H3,(H-,19,20,22)/p+1
InChIKeyIWLNNLHOTOSFJD-UHFFFAOYSA-O
XLogP2.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium 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

Phentolamine
CID 5775
Phentolamine Methanesulfonate
CID 91430
Phentolamine Hydrochloride
CID 5702144
6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-ol
CID 135508767
3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate
CID 4920903
3-(N-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylanilino)phenol
CID 9883506
3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-amino]-phenol
CID 12774559
m-(p-Toluidino)phenol
CID 109096
1-(3-Hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
CID 14771708
5-amino-1-(3-hydroxyphenyl)-4-phenyl-1,2-dihydro-3H-pyrrol-3-one
CID 135402523
6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-3-ol
CID 135508764
4-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol hydrochloride
CID 66147

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium (CID 21299544) is 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium is Cc1ccc([N+](C)(CC2=NCCN2)c2cccc(O)c2)cc1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium?
The InChIKey is IWLNNLHOTOSFJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N3O/c1-14-6-8-15(9-7-14)21(2,13-18-19-10-11-20-18)16-4-3-5-17(22)12-16/h3-9,12H,10-11,13H2,1-2H3,(H-,19,20,22)/p+1.
What are the key properties of 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium?
4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium has a molecular weight of 296.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-ylmethyl-(3-hydroxyphenyl)-methyl-(4-methylphenyl)azanium is sourced from PubChem (CID 21299544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).