1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine

C12H15N7O2 — CID 168605462

IUPAC1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine
SMILESCC1NC(=O)N(c2cccc(/N=C(\N)N=C(N)N)c2)C1=O
InChIInChI=1S/C12H15N7O2/c1-6-9(20)19(12(21)16-6)8-4-2-3-7(5-8)17-11(15)18-10(13)14/h2-6H,1H3,(H,16,21)(H6,13,14,15,17,18)
InChIKeyRGUZAQSZINSIPN-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.65
Rot. Bonds2

About 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine (PubChem CID 168605462) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine
PubChem CID168605462
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine
SMILESCC1NC(=O)N(c2cccc(/N=C(\N)N=C(N)N)c2)C1=O
InChIInChI=1S/C12H15N7O2/c1-6-9(20)19(12(21)16-6)8-4-2-3-7(5-8)17-11(15)18-10(13)14/h2-6H,1H3,(H,16,21)(H6,13,14,15,17,18)
InChIKeyRGUZAQSZINSIPN-UHFFFAOYSA-N
XLogP-0.65
TPSA152.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
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

1-(diaminomethylidene)-2-[3-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]guanidine
CID 168605337
1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
CID 168603317
(5S)-5-methyl-3-naphthalen-2-ylimidazolidine-2,4-dione
CID 131863788
3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 12900458
1-(diaminomethylidene)-2-(3-methylsulfanylphenyl)guanidine
CID 6342932
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
1-(diaminomethylidene)-2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]guanidine
CID 168604194
1-(diaminomethylidene)-2-(3-piperidin-1-ylsulfonylphenyl)guanidine
CID 168602495
1-(diaminomethylidene)-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]guanidine
CID 168602189
(5R)-5-methyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 130816453
(5R)-3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
CID 51983917
3-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169346372

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine (CID 168605462) is 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine is CC1NC(=O)N(c2cccc(/N=C(\N)N=C(N)N)c2)C1=O.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine?
The InChIKey is RGUZAQSZINSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-6-9(20)19(12(21)16-6)8-4-2-3-7(5-8)17-11(15)18-10(13)14/h2-6H,1H3,(H,16,21)(H6,13,14,15,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine has a molecular weight of 289.30 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine is sourced from PubChem (CID 168605462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).