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

C12H18IN5 — CID 110914604

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C12H17N5.HI/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);1H
InChIKeyAACMMPNOHBHOOW-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.29
Rot. Bonds3

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

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide (PubChem CID 110914604) has the molecular formula C12H18IN5 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
PubChem CID110914604
Molecular FormulaC12H18IN5
Molecular Weight359.22 g/mol
Exact Mass359.06
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C12H17N5.HI/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);1H
InChIKeyAACMMPNOHBHOOW-UHFFFAOYSA-N
XLogP1.29
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.29
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

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
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-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
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-[(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-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111011074
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide (CID 110914604) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCc1cn2ccccc2n1.I.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide?
The InChIKey is AACMMPNOHBHOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5.HI/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);1H.
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide has a molecular weight of 359.22 g/mol, XLogP of 1.29, 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;hydroiodide is sourced from PubChem (CID 110914604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).