2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine

C21H27N5OS — CID 130385568

IUPAC2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCCN=C(N)N)cc3)cn2c1
InChIInChI=1S/C21H27N5OS/c1-2-3-13-28-18-9-10-20-25-19(15-26(20)14-18)16-5-7-17(8-6-16)27-12-4-11-24-21(22)23/h5-10,14-15H,2-4,11-13H2,1H3,(H4,22,23,24)
InChIKeyQKFHEYCKAUOIPT-UHFFFAOYSA-N
MW397.55 g/mol
LogP3.94
Rot. Bonds10

About 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine

2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine (PubChem CID 130385568) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
PubChem CID130385568
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCCN=C(N)N)cc3)cn2c1
InChIInChI=1S/C21H27N5OS/c1-2-3-13-28-18-9-10-20-25-19(15-26(20)14-18)16-5-7-17(8-6-16)27-12-4-11-24-21(22)23/h5-10,14-15H,2-4,11-13H2,1H3,(H4,22,23,24)
InChIKeyQKFHEYCKAUOIPT-UHFFFAOYSA-N
XLogP3.94
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine
CID 4594185
2-phenyl-6-propylsulfanylimidazo[1,2-a]pyridine bromide
CID 53347346
3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
CID 24880821
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11372173
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288
2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
CID 68587943
2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880820
1-dodecylsulfanyl-4-(4-pentoxyphenyl)benzene
CID 70387892
1-pentoxy-4-(4-undecylsulfanylphenyl)benzene
CID 70386945
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine?
The IUPAC name of 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine (CID 130385568) is 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine.
What is the SMILES notation for 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine?
The canonical SMILES for 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine is CCCCSc1ccc2nc(-c3ccc(OCCCN=C(N)N)cc3)cn2c1.
What is the InChIKey of 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine?
The InChIKey is QKFHEYCKAUOIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-2-3-13-28-18-9-10-20-25-19(15-26(20)14-18)16-5-7-17(8-6-16)27-12-4-11-24-21(22)23/h5-10,14-15H,2-4,11-13H2,1H3,(H4,22,23,24).
What are the key properties of 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine?
2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine has a molecular weight of 397.55 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine is sourced from PubChem (CID 130385568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).