1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C14H22IN5 — CID 111809801

IUPAC1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCc1cccc2nc(C/N=C(\N)NC(C)(C)C)cn12.I
InChIInChI=1S/C14H21N5.HI/c1-10-6-5-7-12-17-11(9-19(10)12)8-16-13(15)18-14(2,3)4;/h5-7,9H,8H2,1-4H3,(H3,15,16,18);1H
InChIKeyYBXAVMPDBKNGDI-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.46
Rot. Bonds2

About 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111809801) has the molecular formula C14H22IN5 and a molecular weight of 387.27 g/mol. Its IUPAC name is 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111809801
Molecular FormulaC14H22IN5
Molecular Weight387.27 g/mol
Exact Mass387.09
IUPAC Name1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCc1cccc2nc(C/N=C(\N)NC(C)(C)C)cn12.I
InChIInChI=1S/C14H21N5.HI/c1-10-6-5-7-12-17-11(9-19(10)12)8-16-13(15)18-14(2,3)4;/h5-7,9H,8H2,1-4H3,(H3,15,16,18);1H
InChIKeyYBXAVMPDBKNGDI-UHFFFAOYSA-N
XLogP2.46
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.46
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-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111809717
1-(3,5-dimethylphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809778
1-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809806
1-(3,4-dimethoxyphenyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111809748
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109417127
1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111781287
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779408
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
1-tert-butyl-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]guanidine
CID 122097137
1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779026
1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164279

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111809801) is 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is Cc1cccc2nc(C/N=C(\N)NC(C)(C)C)cn12.I.
What is the InChIKey of 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is YBXAVMPDBKNGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.HI/c1-10-6-5-7-12-17-11(9-19(10)12)8-16-13(15)18-14(2,3)4;/h5-7,9H,8H2,1-4H3,(H3,15,16,18);1H.
What are the key properties of 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 387.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).