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

C15H20BrN5 — CID 110992695

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCCC1
InChIInChI=1S/C15H20BrN5/c1-17-15(20-12-4-2-3-5-12)18-8-13-10-21-9-11(16)6-7-14(21)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18,20)
InChIKeyVWFVPZAFEVYGDJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.70
Rot. Bonds3

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine (PubChem CID 110992695) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
PubChem CID110992695
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
SMILESC/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCCC1
InChIInChI=1S/C15H20BrN5/c1-17-15(20-12-4-2-3-5-12)18-8-13-10-21-9-11(16)6-7-14(21)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18,20)
InChIKeyVWFVPZAFEVYGDJ-UHFFFAOYSA-N
XLogP2.70
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.70
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-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111919370
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119150165
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
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]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939954
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409649
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111075368
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]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351221

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine (CID 110992695) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine is C/N=C(\NCc1cn2cc(Br)ccc2n1)NC1CCCC1.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine?
The InChIKey is VWFVPZAFEVYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-17-15(20-12-4-2-3-5-12)18-8-13-10-21-9-11(16)6-7-14(21)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine has a molecular weight of 350.26 g/mol, XLogP of 2.70, 3 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-cyclopentyl-2-methylguanidine is sourced from PubChem (CID 110992695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).