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

C18H28BrN5O2 — CID 111693780

IUPAC1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine
SMILESCCCCOCCOCCN/C(=N\C)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H28BrN5O2/c1-3-4-8-25-10-11-26-9-7-21-18(20-2)22-12-16-14-24-13-15(19)5-6-17(24)23-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,20,21,22)
InChIKeyDHUWNLGCXXKZFP-UHFFFAOYSA-N
MW426.36 g/mol
LogP2.60
Rot. Bonds11

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

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine (PubChem CID 111693780) has the molecular formula C18H28BrN5O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine
PubChem CID111693780
Molecular FormulaC18H28BrN5O2
Molecular Weight426.36 g/mol
Exact Mass425.14
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine
SMILESCCCCOCCOCCN/C(=N\C)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H28BrN5O2/c1-3-4-8-25-10-11-26-9-7-21-18(20-2)22-12-16-14-24-13-15(19)5-6-17(24)23-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,20,21,22)
InChIKeyDHUWNLGCXXKZFP-UHFFFAOYSA-N
XLogP2.60
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 52.60
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

6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
Methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3244857
6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
CID 650748
6-bromo-N-cyclopentyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 1154254
Methyl 2-[(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 5322800
6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 57398407
2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 154620317
3H-Imidazo(4,5-b)pyridine-2-propanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076961
3H-Imidazo(4,5-b)pyridine-2-ethanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076962
6-Bromo-2-methylimidazo[1,2-a]pyridine
CID 12428960
8-Bromo-3-methylimidazo[1,2-A]pyridine
CID 71579383
(6-Bromoimidazo(1,2-a)pyridin-2-yl)methanamine
CID 28325024

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine (CID 111693780) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine is CCCCOCCOCCN/C(=N\C)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine?
The InChIKey is DHUWNLGCXXKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN5O2/c1-3-4-8-25-10-11-26-9-7-21-18(20-2)22-12-16-14-24-13-15(19)5-6-17(24)23-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine?
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine has a molecular weight of 426.36 g/mol, XLogP of 2.60, 11 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-[2-(2-butoxyethoxy)ethyl]-2-methylguanidine is sourced from PubChem (CID 111693780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).