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

C14H23N7 — CID 13111994

IUPAC1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCCc1cnc[nH]1
InChIInChI=1S/C14H23N7/c15-14(19-7-3-5-13-9-17-11-21-13)18-6-2-1-4-12-8-16-10-20-12/h8-11H,1-7H2,(H,16,20)(H,17,21)(H3,15,18,19)
InChIKeyKZMJAGBQPIZISW-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.99
Rot. Bonds9

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

1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 13111994) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID13111994
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCCc1cnc[nH]1
InChIInChI=1S/C14H23N7/c15-14(19-7-3-5-13-9-17-11-21-13)18-6-2-1-4-12-8-16-10-20-12/h8-11H,1-7H2,(H,16,20)(H,17,21)(H3,15,18,19)
InChIKeyKZMJAGBQPIZISW-UHFFFAOYSA-N
XLogP0.99
TPSA107.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (CID 13111994) is 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CCCc1cnc[nH]1)NCCCCc1cnc[nH]1.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is KZMJAGBQPIZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c15-14(19-7-3-5-13-9-17-11-21-13)18-6-2-1-4-12-8-16-10-20-12/h8-11H,1-7H2,(H,16,20)(H,17,21)(H3,15,18,19).
What are the key properties of 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 289.39 g/mol, XLogP of 0.99, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 13111994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).