1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

C20H27N5O2 — CID 111663691

IUPAC1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccc(C)o1)NCCc1cn2ccccc2n1
InChIInChI=1S/C20H27N5O2/c1-4-21-19(23-14-20(3,26)17-9-8-15(2)27-17)22-11-10-16-13-25-12-6-5-7-18(25)24-16/h5-9,12-13,26H,4,10-11,14H2,1-3H3,(H2,21,22,23)
InChIKeyGYEDRZLSQXRYCE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.24
Rot. Bonds7

About 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (PubChem CID 111663691) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
PubChem CID111663691
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccc(C)o1)NCCc1cn2ccccc2n1
InChIInChI=1S/C20H27N5O2/c1-4-21-19(23-14-20(3,26)17-9-8-15(2)27-17)22-11-10-16-13-25-12-6-5-7-18(25)24-16/h5-9,12-13,26H,4,10-11,14H2,1-3H3,(H2,21,22,23)
InChIKeyGYEDRZLSQXRYCE-UHFFFAOYSA-N
XLogP2.24
TPSA87.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111655438
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111592394
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111354832
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxyethyl)guanidine
CID 111663695
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111664383
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111602513
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342720
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111664203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (CID 111663691) is 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is CCN/C(=N\CC(C)(O)c1ccc(C)o1)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The InChIKey is GYEDRZLSQXRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-21-19(23-14-20(3,26)17-9-8-15(2)27-17)22-11-10-16-13-25-12-6-5-7-18(25)24-16/h5-9,12-13,26H,4,10-11,14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine has a molecular weight of 369.47 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111663691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).