2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

C12H17BrIN5 — CID 111075326

IUPAC2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1cn2cc(Br)ccc2n1.I
InChIInChI=1S/C12H16BrN5.HI/c1-8(2)16-12(14)15-5-10-7-18-6-9(13)3-4-11(18)17-10;/h3-4,6-8H,5H2,1-2H3,(H3,14,15,16);1H
InChIKeyJDDYOTKRGKFYDK-UHFFFAOYSA-N
MW438.11 g/mol
LogP2.53
Rot. Bonds3

About 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111075326) has the molecular formula C12H17BrIN5 and a molecular weight of 438.11 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111075326
Molecular FormulaC12H17BrIN5
Molecular Weight438.11 g/mol
Exact Mass436.97
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1cn2cc(Br)ccc2n1.I
InChIInChI=1S/C12H16BrN5.HI/c1-8(2)16-12(14)15-5-10-7-18-6-9(13)3-4-11(18)17-10;/h3-4,6-8H,5H2,1-2H3,(H3,14,15,16);1H
InChIKeyJDDYOTKRGKFYDK-UHFFFAOYSA-N
XLogP2.53
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.11
LogP ≤ 52.53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-phenylguanidine;hydroiodide
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CID 110919308
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849418
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CID 110983079
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
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CID 111941492
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111223669
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256103
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-propan-2-ylguanidine
CID 122096974
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CID 111239913

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111075326) is 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/Cc1cn2cc(Br)ccc2n1.I.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is JDDYOTKRGKFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5.HI/c1-8(2)16-12(14)15-5-10-7-18-6-9(13)3-4-11(18)17-10;/h3-4,6-8H,5H2,1-2H3,(H3,14,15,16);1H.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 438.11 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111075326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).