N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride

C13H18ClN3 — CID 45156296

IUPACN-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nccn1Cc1ccccc1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-2-14-10-13-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-9,14H,2,10-11H2,1H3;1H
InChIKeyQZFFSCGJHBFJPG-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.46
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride

N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 45156296) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
PubChem CID45156296
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nccn1Cc1ccccc1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-2-14-10-13-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-9,14H,2,10-11H2,1H3;1H
InChIKeyQZFFSCGJHBFJPG-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylimidazol-2-yl)methyl]ethanamine;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

N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride (CID 45156296) is N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride is CCNCc1nccn1Cc1ccccc1.Cl.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is QZFFSCGJHBFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-2-14-10-13-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-9,14H,2,10-11H2,1H3;1H.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride?
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 45156296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).