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

C17H17BrFN5 — CID 111265567

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1F
InChIInChI=1S/C17H17BrFN5/c1-20-17(21-8-12-4-2-3-5-15(12)19)22-9-14-11-24-10-13(18)6-7-16(24)23-14/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22)
InChIKeyOHTWZDUUBNRPBJ-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.10
Rot. Bonds4

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 111265567) has the molecular formula C17H17BrFN5 and a molecular weight of 390.26 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
PubChem CID111265567
Molecular FormulaC17H17BrFN5
Molecular Weight390.26 g/mol
Exact Mass389.07
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1F
InChIInChI=1S/C17H17BrFN5/c1-20-17(21-8-12-4-2-3-5-15(12)19)22-9-14-11-24-10-13(18)6-7-16(24)23-14/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22)
InChIKeyOHTWZDUUBNRPBJ-UHFFFAOYSA-N
XLogP3.10
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 111865712
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]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939954
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783620
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351221
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678521
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111639338
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933251
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylguanidine
CID 111270513
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-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111075368

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine (CID 111265567) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine is C/N=C(/NCc1cn2cc(Br)ccc2n1)NCc1ccccc1F.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is OHTWZDUUBNRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5/c1-20-17(21-8-12-4-2-3-5-15(12)19)22-9-14-11-24-10-13(18)6-7-16(24)23-14/h2-7,10-11H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 390.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111265567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).