2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine

C17H15Cl2N5 — CID 54757918

IUPAC2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine
SMILESN/C(=N\c1nccn1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5/c18-14-7-6-13(10-15(14)19)22-16(20)23-17-21-8-9-24(17)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,20,21,22,23)
InChIKeyNWLGBGLNWKFROJ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.30
Rot. Bonds4

About 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine

2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine (PubChem CID 54757918) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine
PubChem CID54757918
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine
SMILESN/C(=N\c1nccn1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5/c18-14-7-6-13(10-15(14)19)22-16(20)23-17-21-8-9-24(17)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,20,21,22,23)
InChIKeyNWLGBGLNWKFROJ-UHFFFAOYSA-N
XLogP4.30
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine?
The IUPAC name of 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine (CID 54757918) is 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine is N/C(=N\c1nccn1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine?
The InChIKey is NWLGBGLNWKFROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c18-14-7-6-13(10-15(14)19)22-16(20)23-17-21-8-9-24(17)11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,20,21,22,23).
What are the key properties of 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine?
2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine has a molecular weight of 360.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine is sourced from PubChem (CID 54757918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).