2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C16H21N5O2 — CID 111812467

IUPAC2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCN1C(=O)CNC1=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H21N5O2/c17-15(18-8-9-21-14(22)10-19-16(21)23)20-13-7-3-5-11-4-1-2-6-12(11)13/h3,5,7H,1-2,4,6,8-10H2,(H,19,23)(H3,17,18,20)
InChIKeyQPUBXOYBDLZCIC-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111812467) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111812467
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CCN1C(=O)CNC1=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H21N5O2/c17-15(18-8-9-21-14(22)10-19-16(21)23)20-13-7-3-5-11-4-1-2-6-12(11)13/h3,5,7H,1-2,4,6,8-10H2,(H,19,23)(H3,17,18,20)
InChIKeyQPUBXOYBDLZCIC-UHFFFAOYSA-N
XLogP0.84
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-oxo-3H-indol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142363
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720592
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721585
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721083
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
CID 111812452
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111812467) is 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CCN1C(=O)CNC1=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is QPUBXOYBDLZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-15(18-8-9-21-14(22)10-19-16(21)23)20-13-7-3-5-11-4-1-2-6-12(11)13/h3,5,7H,1-2,4,6,8-10H2,(H,19,23)(H3,17,18,20).
What are the key properties of 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 315.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111812467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).