1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride

C20H28Cl2N6 — CID 162655408

IUPAC1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
SMILESCCC/N=C(\N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1.Cl.Cl
InChIInChI=1S/C20H26N6.2ClH/c1-2-11-22-19(21)25-17-7-3-15(4-8-17)14-16-5-9-18(10-6-16)26-20-23-12-13-24-20;;/h3-10H,2,11-14H2,1H3,(H3,21,22,25)(H2,23,24,26);2*1H
InChIKeyFBXGXWMLTNKLSQ-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.63
Rot. Bonds6

About 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride

1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride (PubChem CID 162655408) has the molecular formula C20H28Cl2N6 and a molecular weight of 423.39 g/mol. Its IUPAC name is 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
PubChem CID162655408
Molecular FormulaC20H28Cl2N6
Molecular Weight423.39 g/mol
Exact Mass422.18
IUPAC Name1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
SMILESCCC/N=C(\N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1.Cl.Cl
InChIInChI=1S/C20H26N6.2ClH/c1-2-11-22-19(21)25-17-7-3-15(4-8-17)14-16-5-9-18(10-6-16)26-20-23-12-13-24-20;;/h3-10H,2,11-14H2,1H3,(H3,21,22,25)(H2,23,24,26);2*1H
InChIKeyFBXGXWMLTNKLSQ-UHFFFAOYSA-N
XLogP3.63
TPSA86.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride 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-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride?
The IUPAC name of 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride (CID 162655408) is 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride.
What is the SMILES notation for 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride?
The canonical SMILES for 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride is CCC/N=C(\N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1.Cl.Cl.
What is the InChIKey of 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride?
The InChIKey is FBXGXWMLTNKLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6.2ClH/c1-2-11-22-19(21)25-17-7-3-15(4-8-17)14-16-5-9-18(10-6-16)26-20-23-12-13-24-20;;/h3-10H,2,11-14H2,1H3,(H3,21,22,25)(H2,23,24,26);2*1H.
What are the key properties of 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride?
1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride has a molecular weight of 423.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride is sourced from PubChem (CID 162655408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).