1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

C20H23Cl2N5O — CID 109492782

IUPAC1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cn2c(C)cccc2n1)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H23Cl2N5O/c1-3-23-20(25-11-18(28)14-7-15(21)9-16(22)8-14)24-10-17-12-27-13(2)5-4-6-19(27)26-17/h4-9,12,18,28H,3,10-11H2,1-2H3,(H2,23,24,25)
InChIKeyMEMLOJCCADPCJB-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.74
Rot. Bonds6

About 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 109492782) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
PubChem CID109492782
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cn2c(C)cccc2n1)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H23Cl2N5O/c1-3-23-20(25-11-18(28)14-7-15(21)9-16(22)8-14)24-10-17-12-27-13(2)5-4-6-19(27)26-17/h4-9,12,18,28H,3,10-11H2,1-2H3,(H2,23,24,25)
InChIKeyMEMLOJCCADPCJB-UHFFFAOYSA-N
XLogP3.74
TPSA73.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.74
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-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111781629
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
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109417127
1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779026
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779982
1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783089
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 109492627
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109492649
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111779856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 109492782) is 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is CCN/C(=N\Cc1cn2c(C)cccc2n1)NCC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The InChIKey is MEMLOJCCADPCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O/c1-3-23-20(25-11-18(28)14-7-15(21)9-16(22)8-14)24-10-17-12-27-13(2)5-4-6-19(27)26-17/h4-9,12,18,28H,3,10-11H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 420.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 109492782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).