N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride

C11H15Cl4N3 — CID 76853743

IUPACN-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
SMILESCl.Cl.Cl.Cn1ccnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3.3ClH/c1-15-7-6-13-11(15)14-8-9-2-4-10(12)5-3-9;;;/h2-7H,8H2,1H3,(H,13,14);3*1H
InChIKeyNCILAMOTTNMRBZ-UHFFFAOYSA-N
MW331.07 g/mol
LogP3.95
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride

N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride (PubChem CID 76853743) has the molecular formula C11H15Cl4N3 and a molecular weight of 331.07 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
PubChem CID76853743
Molecular FormulaC11H15Cl4N3
Molecular Weight331.07 g/mol
Exact Mass329.00
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
SMILESCl.Cl.Cl.Cn1ccnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3.3ClH/c1-15-7-6-13-11(15)14-8-9-2-4-10(12)5-3-9;;;/h2-7H,8H2,1H3,(H,13,14);3*1H
InChIKeyNCILAMOTTNMRBZ-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride 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

1-methyl-N-(1,2-oxazol-5-ylmethyl)imidazol-2-amine
CID 106418901
N-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazol-2-amine
CID 62133080
[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
CID 63312168
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730342

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride (CID 76853743) is N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride is Cl.Cl.Cl.Cn1ccnc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride?
The InChIKey is NCILAMOTTNMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.3ClH/c1-15-7-6-13-11(15)14-8-9-2-4-10(12)5-3-9;;;/h2-7H,8H2,1H3,(H,13,14);3*1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride?
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride has a molecular weight of 331.07 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride is sourced from PubChem (CID 76853743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).