2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride

C17H16Cl3N5 — CID 71464804

IUPAC2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride
SMILESCl.N/C(=N/c1ncc(Cc2ccccc2)[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5.ClH/c18-14-7-6-12(9-15(14)19)22-16(20)24-17-21-10-13(23-17)8-11-4-2-1-3-5-11;/h1-7,9-10H,8H2,(H4,20,21,22,23,24);1H
InChIKeyREJBHXIRXFCEFY-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.79
Rot. Bonds4

About 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride

2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride (PubChem CID 71464804) has the molecular formula C17H16Cl3N5 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride
PubChem CID71464804
Molecular FormulaC17H16Cl3N5
Molecular Weight396.71 g/mol
Exact Mass395.05
IUPAC Name2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride
SMILESCl.N/C(=N/c1ncc(Cc2ccccc2)[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5.ClH/c18-14-7-6-12(9-15(14)19)22-16(20)24-17-21-10-13(23-17)8-11-4-2-1-3-5-11;/h1-7,9-10H,8H2,(H4,20,21,22,23,24);1H
InChIKeyREJBHXIRXFCEFY-UHFFFAOYSA-N
XLogP4.79
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;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-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
1-(3-chloro-4-methoxyphenyl)-2-(2-phenylethyl)guanidine
CID 111022915
2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-ethoxyphenyl)guanidine
CID 135802191
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695517
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
2-(1H-imidazol-2-yl)-1-phenylguanidine
CID 91182432
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]guanidine
CID 121224973
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
CID 125466393
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride?
The IUPAC name of 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride (CID 71464804) is 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride is Cl.N/C(=N/c1ncc(Cc2ccccc2)[nH]1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride?
The InChIKey is REJBHXIRXFCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5.ClH/c18-14-7-6-12(9-15(14)19)22-16(20)24-17-21-10-13(23-17)8-11-4-2-1-3-5-11;/h1-7,9-10H,8H2,(H4,20,21,22,23,24);1H.
What are the key properties of 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride?
2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride has a molecular weight of 396.71 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride is sourced from PubChem (CID 71464804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).