1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

C22H25Cl2N5 — CID 10342634

IUPAC1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N5/c23-20-9-8-17(13-21(20)24)19(16-5-2-1-3-6-16)10-12-28-22(25)27-11-4-7-18-14-26-15-29-18/h1-3,5-6,8-9,13-15,19H,4,7,10-12H2,(H,26,29)(H3,25,27,28)
InChIKeyVZJQWRAJEFEHEY-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.78
Rot. Bonds9

About 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 10342634) has the molecular formula C22H25Cl2N5 and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID10342634
Molecular FormulaC22H25Cl2N5
Molecular Weight430.38 g/mol
Exact Mass429.15
IUPAC Name1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N5/c23-20-9-8-17(13-21(20)24)19(16-5-2-1-3-6-16)10-12-28-22(25)27-11-4-7-18-14-26-15-29-18/h1-3,5-6,8-9,13-15,19H,4,7,10-12H2,(H,26,29)(H3,25,27,28)
InChIKeyVZJQWRAJEFEHEY-UHFFFAOYSA-N
XLogP4.78
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]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 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (CID 10342634) is 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is VZJQWRAJEFEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5/c23-20-9-8-17(13-21(20)24)19(16-5-2-1-3-6-16)10-12-28-22(25)27-11-4-7-18-14-26-15-29-18/h1-3,5-6,8-9,13-15,19H,4,7,10-12H2,(H,26,29)(H3,25,27,28).
What are the key properties of 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 430.38 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 10342634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).