1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine

C15H19N5O2 — CID 111812489

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
SMILESN/C(=N\CCN1C(=O)CNC1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N5O2/c16-14(17-6-7-20-13(21)9-18-15(20)22)19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H3,16,17,19)
InChIKeyCSFPQQCCNHJGIE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.45
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine (PubChem CID 111812489) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
PubChem CID111812489
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
SMILESN/C(=N\CCN1C(=O)CNC1=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19N5O2/c16-14(17-6-7-20-13(21)9-18-15(20)22)19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H3,16,17,19)
InChIKeyCSFPQQCCNHJGIE-UHFFFAOYSA-N
XLogP0.45
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.45
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-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119118251
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057218
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111043516
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
CID 111812452
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076898
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111063702
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111095009
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042722

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine (CID 111812489) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine is N/C(=N\CCN1C(=O)CNC1=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The InChIKey is CSFPQQCCNHJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-14(17-6-7-20-13(21)9-18-15(20)22)19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H3,16,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine has a molecular weight of 301.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111812489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).