1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine

C19H27N5O2 — CID 120913562

IUPAC1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(N2C(=O)NC(C)(C3CC3)C2=O)cc1
InChIInChI=1S/C19H27N5O2/c1-18(2,3)22-16(20)21-11-12-5-9-14(10-6-12)24-15(25)19(4,13-7-8-13)23-17(24)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,26)(H3,20,21,22)
InChIKeyGFULVXUOGROCSV-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.11
Rot. Bonds4

About 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine

1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine (PubChem CID 120913562) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine
PubChem CID120913562
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(N2C(=O)NC(C)(C3CC3)C2=O)cc1
InChIInChI=1S/C19H27N5O2/c1-18(2,3)22-16(20)21-11-12-5-9-14(10-6-12)24-15(25)19(4,13-7-8-13)23-17(24)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,26)(H3,20,21,22)
InChIKeyGFULVXUOGROCSV-UHFFFAOYSA-N
XLogP2.11
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.11
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-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 120913541
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]azepane-1-carboximidamide;hydroiodide
CID 120913547
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 120913558
(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 124585523
N'-[[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 120913380
1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
1-tert-butyl-2-[(4-nitrophenyl)methyl]guanidine
CID 62363744
1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111034041
1-tert-butyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046400
1-tert-butyl-2-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]guanidine
CID 120822858
1-tert-butyl-2-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111066714
1-tert-butyl-2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120602808

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine (CID 120913562) is 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1ccc(N2C(=O)NC(C)(C3CC3)C2=O)cc1.
What is the InChIKey of 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine?
The InChIKey is GFULVXUOGROCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-18(2,3)22-16(20)21-11-12-5-9-14(10-6-12)24-15(25)19(4,13-7-8-13)23-17(24)26/h5-6,9-10,13H,7-8,11H2,1-4H3,(H,23,26)(H3,20,21,22).
What are the key properties of 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine?
1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine has a molecular weight of 357.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine is sourced from PubChem (CID 120913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).