1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine

C16H25N7 — CID 151722745

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine
SMILESCc1ccc(N(C)CCC/N=C(\N)NCCc2cnc[nH]2)nc1
InChIInChI=1S/C16H25N7/c1-13-4-5-15(21-10-13)23(2)9-3-7-19-16(17)20-8-6-14-11-18-12-22-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyRIXRZWLRGRIYBZ-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.09
Rot. Bonds8

About 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine

1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine (PubChem CID 151722745) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine
PubChem CID151722745
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine
SMILESCc1ccc(N(C)CCC/N=C(\N)NCCc2cnc[nH]2)nc1
InChIInChI=1S/C16H25N7/c1-13-4-5-15(21-10-13)23(2)9-3-7-19-16(17)20-8-6-14-11-18-12-22-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyRIXRZWLRGRIYBZ-UHFFFAOYSA-N
XLogP1.09
TPSA95.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.09
H-Bond Donors ≤ 53
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-[3-(1H-imidazol-5-yl)propyl]-1-[3-[(5-methyl-2-pyridinyl)methylamino]propyl]guanidine
CID 57078596
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
2-[3-[(4-bromophenyl)methyl-pyrimidin-2-ylamino]propyl]-1-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 54247865
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]-2-methylguanidine
CID 13499387
1-[2-(N-benzyl-4-fluoroanilino)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine;trihydrochloride
CID 70352586
2-[3-(3,4-dichlorophenyl)sulfanylpropyl]-1-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14244921
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-[3,3-bis(3-fluorophenyl)propyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 15014658
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-[3-(1H-imidazol-5-yl)propyl]-2-[(4-iodophenyl)methyl]guanidine
CID 10045474
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-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine (CID 151722745) is 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine is Cc1ccc(N(C)CCC/N=C(\N)NCCc2cnc[nH]2)nc1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine?
The InChIKey is RIXRZWLRGRIYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-13-4-5-15(21-10-13)23(2)9-3-7-19-16(17)20-8-6-14-11-18-12-22-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,22)(H3,17,19,20).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine?
1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine has a molecular weight of 315.43 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[3-[methyl-(5-methyl-2-pyridinyl)amino]propyl]guanidine is sourced from PubChem (CID 151722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).