2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine

C16H24BrN5O — CID 111607815

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1cn2cc(Br)ccc2n1)NCC(C)(C)OC
InChIInChI=1S/C16H24BrN5O/c1-5-18-15(20-11-16(2,3)23-4)19-8-13-10-22-9-12(17)6-7-14(22)21-13/h6-7,9-10H,5,8,11H2,1-4H3,(H2,18,19,20)
InChIKeyKQWYZYGRSWCAHP-UHFFFAOYSA-N
MW382.31 g/mol
LogP2.58
Rot. Bonds6

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111607815) has the molecular formula C16H24BrN5O and a molecular weight of 382.31 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111607815
Molecular FormulaC16H24BrN5O
Molecular Weight382.31 g/mol
Exact Mass381.12
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1cn2cc(Br)ccc2n1)NCC(C)(C)OC
InChIInChI=1S/C16H24BrN5O/c1-5-18-15(20-11-16(2,3)23-4)19-8-13-10-22-9-12(17)6-7-14(22)21-13/h6-7,9-10H,5,8,11H2,1-4H3,(H2,18,19,20)
InChIKeyKQWYZYGRSWCAHP-UHFFFAOYSA-N
XLogP2.58
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.58
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'}

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849418
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983079
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111223669
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-butoxypropyl)-3-ethylguanidine
CID 111239913
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109478031
3-[[N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111941492
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111140181
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530751
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735642
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111143706
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607883
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111607071

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine (CID 111607815) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\Cc1cn2cc(Br)ccc2n1)NCC(C)(C)OC.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is KQWYZYGRSWCAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN5O/c1-5-18-15(20-11-16(2,3)23-4)19-8-13-10-22-9-12(17)6-7-14(22)21-13/h6-7,9-10H,5,8,11H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 382.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111607815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).