1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine

C13H21N7 — CID 13499378

IUPAC1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCc1cnc[nH]1
InChIInChI=1S/C13H21N7/c14-13(17-5-1-3-11-7-15-9-19-11)18-6-2-4-12-8-16-10-20-12/h7-10H,1-6H2,(H,15,19)(H,16,20)(H3,14,17,18)
InChIKeyMELDRNNXBBRNLZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.60
Rot. Bonds8

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

1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 13499378) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID13499378
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCc1cnc[nH]1
InChIInChI=1S/C13H21N7/c14-13(17-5-1-3-11-7-15-9-19-11)18-6-2-4-12-8-16-10-20-12/h7-10H,1-6H2,(H,15,19)(H,16,20)(H3,14,17,18)
InChIKeyMELDRNNXBBRNLZ-UHFFFAOYSA-N
XLogP0.60
TPSA107.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.60
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'}

Analyze 1,2-bis[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

Related Compounds

1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CID 13499387
2-[3-(3,4-dichlorophenyl)sulfanylpropyl]-1-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14244921
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
1-[3,3-bis(3-fluorophenyl)propyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 15014658
1-[3-(3-fluorophenyl)-3-(4-fluorophenyl)propyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 15014654
1-[3-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660380
2-[4-(1H-imidazol-5-yl)butyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 13499361
1-[2-(N-benzyl-4-fluoroanilino)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine;trihydrochloride
CID 70352586
2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(3-nitrophenyl)methylsulfanyl]ethyl]guanidine
CID 14601069
1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine
CID 151722745
1-[3-(1H-imidazol-5-yl)propyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine
CID 19830954

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine (CID 13499378) is 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CCCc1cnc[nH]1)NCCCc1cnc[nH]1.
What is the InChIKey of 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is MELDRNNXBBRNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c14-13(17-5-1-3-11-7-15-9-19-11)18-6-2-4-12-8-16-10-20-12/h7-10H,1-6H2,(H,15,19)(H,16,20)(H3,14,17,18).
What are the key properties of 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine?
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 275.36 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 13499378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).