1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine

C15H25N7S — CID 19830954

IUPAC1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
SMILESCc1[nH]cnc1CSC(C)C/N=C(\N)NCCCc1cnc[nH]1
InChIInChI=1S/C15H25N7S/c1-11(23-8-14-12(2)20-10-22-14)6-19-15(16)18-5-3-4-13-7-17-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,17,21)(H,20,22)(H3,16,18,19)
InChIKeyBXUYTPGTAIQRSP-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.60
Rot. Bonds9

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

1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine (PubChem CID 19830954) has the molecular formula C15H25N7S and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
PubChem CID19830954
Molecular FormulaC15H25N7S
Molecular Weight335.48 g/mol
Exact Mass335.19
IUPAC Name1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
SMILESCc1[nH]cnc1CSC(C)C/N=C(\N)NCCCc1cnc[nH]1
InChIInChI=1S/C15H25N7S/c1-11(23-8-14-12(2)20-10-22-14)6-19-15(16)18-5-3-4-13-7-17-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,17,21)(H,20,22)(H3,16,18,19)
InChIKeyBXUYTPGTAIQRSP-UHFFFAOYSA-N
XLogP1.60
TPSA107.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[4-(1H-imidazol-5-yl)butyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 13499361
1-[3-(1H-imidazol-5-yl)propyl]-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]urea
CID 13499406
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CID 13499387
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-1-amine
CID 67945856
1-[3-(1H-imidazol-5-yl)propyl]-2-[(4-iodophenyl)methyl]guanidine
CID 10045474
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-[(5-methyl-2-pyridinyl)methylamino]propyl]guanidine
CID 57078596
2-[3-(3,4-dichlorophenyl)sulfanylpropyl]-1-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14244921
1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine
CID 151722745
2-(3-imidazol-1-ylpropyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;trihydrochloride
CID 3068226
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
CID 10398801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine (CID 19830954) is 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine is Cc1[nH]cnc1CSC(C)C/N=C(\N)NCCCc1cnc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine?
The InChIKey is BXUYTPGTAIQRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7S/c1-11(23-8-14-12(2)20-10-22-14)6-19-15(16)18-5-3-4-13-7-17-9-21-13/h7,9-11H,3-6,8H2,1-2H3,(H,17,21)(H,20,22)(H3,16,18,19).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine?
1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine has a molecular weight of 335.48 g/mol, XLogP of 1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine is sourced from PubChem (CID 19830954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).