1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one

C11H15N5O — CID 138389986

IUPAC1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1cncn1C
InChIInChI=1S/C11H15N5O/c1-15-6-13-4-8(15)9-10(12)14-11(17)16(9)5-7-2-3-7/h4,6-7,9H,2-3,5H2,1H3,(H2,12,14,17)
InChIKeyNQVCBLBMTFRBCJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.87
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one

1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one (PubChem CID 138389986) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one
PubChem CID138389986
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1cncn1C
InChIInChI=1S/C11H15N5O/c1-15-6-13-4-8(15)9-10(12)14-11(17)16(9)5-7-2-3-7/h4,6-7,9H,2-3,5H2,1H3,(H2,12,14,17)
InChIKeyNQVCBLBMTFRBCJ-UHFFFAOYSA-N
XLogP0.87
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one (CID 138389986) is 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C1c1cncn1C.
What is the InChIKey of 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one?
The InChIKey is NQVCBLBMTFRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-6-13-4-8(15)9-10(12)14-11(17)16(9)5-7-2-3-7/h4,6-7,9H,2-3,5H2,1H3,(H2,12,14,17).
What are the key properties of 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one?
1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one is sourced from PubChem (CID 138389986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).