1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

C20H24BrN5O2 — CID 109461098

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C20H24BrN5O2/c1-22-20(23-12-17-14-26-13-15(21)7-8-19(26)24-17)25-16-5-3-6-18(11-16)28-10-4-9-27-2/h3,5-8,11,13-14H,4,9-10,12H2,1-2H3,(H2,22,23,25)
InChIKeyOOSDMWMACKRGKA-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.70
Rot. Bonds8

About 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (PubChem CID 109461098) has the molecular formula C20H24BrN5O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
PubChem CID109461098
Molecular FormulaC20H24BrN5O2
Molecular Weight446.35 g/mol
Exact Mass445.11
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C20H24BrN5O2/c1-22-20(23-12-17-14-26-13-15(21)7-8-19(26)24-17)25-16-5-3-6-18(11-16)28-10-4-9-27-2/h3,5-8,11,13-14H,4,9-10,12H2,1-2H3,(H2,22,23,25)
InChIKeyOOSDMWMACKRGKA-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.70
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

1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109461840
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460324
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 109461076
1-[3-(3-methoxypropoxy)phenyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine
CID 109459978
1-[3-(3-methoxypropoxy)phenyl]-2,3-dimethylguanidine
CID 109462402
N-[3-[[[N-[3-(3-methoxypropoxy)phenyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 109460765
1-[[4-(methoxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461199
1-[(3-chlorophenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460424
1-[3-(4-methoxyphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109462158
1-[(5-ethylthiophen-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461157
1-[(2-methoxyphenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460797
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 109461459

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (CID 109461098) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is C/N=C(\NCc1cn2cc(Br)ccc2n1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The InChIKey is OOSDMWMACKRGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2/c1-22-20(23-12-17-14-26-13-15(21)7-8-19(26)24-17)25-16-5-3-6-18(11-16)28-10-4-9-27-2/h3,5-8,11,13-14H,4,9-10,12H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine has a molecular weight of 446.35 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is sourced from PubChem (CID 109461098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).