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

C22H26ClN5 — CID 14660386

IUPAC1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27)
InChIKeyCZOAWFCKCUQZAO-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.12
Rot. Bonds9

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

1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 14660386) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID14660386
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27)
InChIKeyCZOAWFCKCUQZAO-UHFFFAOYSA-N
XLogP4.12
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (CID 14660386) is 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is CZOAWFCKCUQZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27).
What are the key properties of 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 395.94 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-phenylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 14660386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).