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

C18H18BrF2N5O — CID 111865712

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H18BrF2N5O/c1-22-18(23-8-12-4-2-3-5-15(12)27-17(20)21)24-9-14-11-26-10-13(19)6-7-16(26)25-14/h2-7,10-11,17H,8-9H2,1H3,(H2,22,23,24)
InChIKeyGKPAXFPXTRIETA-UHFFFAOYSA-N
MW438.28 g/mol
LogP3.56
Rot. Bonds6

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine (PubChem CID 111865712) has the molecular formula C18H18BrF2N5O and a molecular weight of 438.28 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
PubChem CID111865712
Molecular FormulaC18H18BrF2N5O
Molecular Weight438.28 g/mol
Exact Mass437.07
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H18BrF2N5O/c1-22-18(23-8-12-4-2-3-5-15(12)27-17(20)21)24-9-14-11-26-10-13(19)6-7-16(26)25-14/h2-7,10-11,17H,8-9H2,1H3,(H2,22,23,24)
InChIKeyGKPAXFPXTRIETA-UHFFFAOYSA-N
XLogP3.56
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine 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-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111683205
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678521
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111865016
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine
CID 109406714
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552412
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111179773
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
CID 111226145
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111866439
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939954
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111866400

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine (CID 111865712) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine is C/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine?
The InChIKey is GKPAXFPXTRIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N5O/c1-22-18(23-8-12-4-2-3-5-15(12)27-17(20)21)24-9-14-11-26-10-13(19)6-7-16(26)25-14/h2-7,10-11,17H,8-9H2,1H3,(H2,22,23,24).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine has a molecular weight of 438.28 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 111865712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).