1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

C21H33N5O — CID 109477404

IUPAC1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H33N5O/c1-2-22-20(24-17-21(12-15-27)10-5-3-6-11-21)23-13-9-18-16-26-14-7-4-8-19(26)25-18/h4,7-8,14,16,27H,2-3,5-6,9-13,15,17H2,1H3,(H2,22,23,24)
InChIKeyOAICSORHYBAUIX-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds8

About 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine

1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (PubChem CID 109477404) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
PubChem CID109477404
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H33N5O/c1-2-22-20(24-17-21(12-15-27)10-5-3-6-11-21)23-13-9-18-16-26-14-7-4-8-19(26)25-18/h4,7-8,14,16,27H,2-3,5-6,9-13,15,17H2,1H3,(H2,22,23,24)
InChIKeyOAICSORHYBAUIX-UHFFFAOYSA-N
XLogP2.76
TPSA73.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 109477617
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 109477588
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 109477247
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-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111354832
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477065
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216606

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine (CID 109477404) is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is CCN/C(=N\CC1(CCO)CCCCC1)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
The InChIKey is OAICSORHYBAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-2-22-20(24-17-21(12-15-27)10-5-3-6-11-21)23-13-9-18-16-26-14-7-4-8-19(26)25-18/h4,7-8,14,16,27H,2-3,5-6,9-13,15,17H2,1H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine?
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine has a molecular weight of 371.53 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 109477404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).