2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride

C12H13ClN2O2 — CID 75531590

IUPAC2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccccc1OCCn1ccnc1
InChIInChI=1S/C12H12N2O2.ClH/c15-9-11-3-1-2-4-12(11)16-8-7-14-6-5-13-10-14;/h1-6,9-10H,7-8H2;1H
InChIKeyMMIOIIRABYWQGQ-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride

2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride (PubChem CID 75531590) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
PubChem CID75531590
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
SMILESCl.O=Cc1ccccc1OCCn1ccnc1
InChIInChI=1S/C12H12N2O2.ClH/c15-9-11-3-1-2-4-12(11)16-8-7-14-6-5-13-10-14;/h1-6,9-10H,7-8H2;1H
InChIKeyMMIOIIRABYWQGQ-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride 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

2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789670
N-(2-imidazol-1-ylethoxy)aniline
CID 91383596
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride?
The IUPAC name of 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride (CID 75531590) is 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride.
What is the SMILES notation for 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride?
The canonical SMILES for 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride is Cl.O=Cc1ccccc1OCCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride?
The InChIKey is MMIOIIRABYWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.ClH/c15-9-11-3-1-2-4-12(11)16-8-7-14-6-5-13-10-14;/h1-6,9-10H,7-8H2;1H.
What are the key properties of 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride?
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride is sourced from PubChem (CID 75531590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).