1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide

C18H26ClIN4O2 — CID 111500928

IUPAC1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)NC(C)c1ccccc1Cl.I
InChIInChI=1S/C18H25ClN4O2.HI/c1-3-20-18(22-13(2)14-7-4-5-8-15(14)19)21-11-12-23-16(24)9-6-10-17(23)25;/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H2,20,21,22);1H
InChIKeyYNRROSMEFMQKST-UHFFFAOYSA-N
MW492.79 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide

1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111500928) has the molecular formula C18H26ClIN4O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111500928
Molecular FormulaC18H26ClIN4O2
Molecular Weight492.79 g/mol
Exact Mass492.08
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)NC(C)c1ccccc1Cl.I
InChIInChI=1S/C18H25ClN4O2.HI/c1-3-20-18(22-13(2)14-7-4-5-8-15(14)19)21-11-12-23-16(24)9-6-10-17(23)25;/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H2,20,21,22);1H
InChIKeyYNRROSMEFMQKST-UHFFFAOYSA-N
XLogP3.11
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.79
LogP ≤ 53.11
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111319541
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111515382
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111319468
1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111980895
1-[1-(2-bromophenyl)ethyl]-3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methylguanidine
CID 111500991
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine
CID 111500405
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948955
2-[[[1-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111319516
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111310733
1-amino-3-[1-(2-chlorophenyl)ethyl]-2-propylguanidine
CID 116514362
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 111500491
2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
CID 111123905

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide (CID 111500928) is 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CCN1C(=O)CCCC1=O)NC(C)c1ccccc1Cl.I.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is YNRROSMEFMQKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2.HI/c1-3-20-18(22-13(2)14-7-4-5-8-15(14)19)21-11-12-23-16(24)9-6-10-17(23)25;/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide?
1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 492.79 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111500928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).