1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine

C12H17N5 — CID 99845838

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1cn2ccccc2n1
InChIInChI=1S/C12H17N5/c1-13-12(14-2)15-7-6-10-9-17-8-4-3-5-11(17)16-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyICSMGLJJKIKDDL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine (PubChem CID 99845838) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
PubChem CID99845838
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1cn2ccccc2n1
InChIInChI=1S/C12H17N5/c1-13-12(14-2)15-7-6-10-9-17-8-4-3-5-11(17)16-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14,15)
InChIKeyICSMGLJJKIKDDL-UHFFFAOYSA-N
XLogP0.67
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.67
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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949451
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111040218
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900088
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996738
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111311278

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine (CID 99845838) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine?
The InChIKey is ICSMGLJJKIKDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-13-12(14-2)15-7-6-10-9-17-8-4-3-5-11(17)16-10/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine has a molecular weight of 231.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 99845838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).