N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide

C16H24N6O — CID 173481613

IUPACN-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C1/C(=c2[nH]c(=O)n(CC(C)C)c2=C)N=CN1CC(C)C
InChIInChI=1S/C16H24N6O/c1-10(2)6-21-9-19-14(15(21)18-8-17)13-12(5)22(7-11(3)4)16(23)20-13/h8-11,17H,5-7H2,1-4H3,(H,20,23)/b14-13?,17-8+,18-15-
InChIKeyHSXLPLFJNRUHPD-ZDVSOBGJSA-N
MW316.41 g/mol
LogP0.36
Rot. Bonds5

About N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide

N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide (PubChem CID 173481613) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide
PubChem CID173481613
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C1/C(=c2[nH]c(=O)n(CC(C)C)c2=C)N=CN1CC(C)C
InChIInChI=1S/C16H24N6O/c1-10(2)6-21-9-19-14(15(21)18-8-17)13-12(5)22(7-11(3)4)16(23)20-13/h8-11,17H,5-7H2,1-4H3,(H,20,23)/b14-13?,17-8+,18-15-
InChIKeyHSXLPLFJNRUHPD-ZDVSOBGJSA-N
XLogP0.36
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide?
The IUPAC name of N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide (CID 173481613) is N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide.
What is the SMILES notation for N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide?
The canonical SMILES for N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide is [H]/N=C/N=C1/C(=c2[nH]c(=O)n(CC(C)C)c2=C)N=CN1CC(C)C.
What is the InChIKey of N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide?
The InChIKey is HSXLPLFJNRUHPD-ZDVSOBGJSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10(2)6-21-9-19-14(15(21)18-8-17)13-12(5)22(7-11(3)4)16(23)20-13/h8-11,17H,5-7H2,1-4H3,(H,20,23)/b14-13?,17-8+,18-15-.
What are the key properties of N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide?
N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide has a molecular weight of 316.41 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methylidene-1-(2-methylpropyl)-2-oxoimidazolidin-4-ylidene]-3-(2-methylpropyl)imidazol-4-ylidene]methanimidamide is sourced from PubChem (CID 173481613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).