4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one

C9H11N5O — CID 79959420

IUPAC4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cncn1C1CC1
InChIInChI=1S/C9H11N5O/c10-8-7(12-9(15)13-8)6-3-11-4-14(6)5-1-2-5/h3-5,7H,1-2H2,(H3,10,12,13,15)
InChIKeyFEBNXDUCLMYNOV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.34
Rot. Bonds2

About 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one

4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one (PubChem CID 79959420) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
PubChem CID79959420
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cncn1C1CC1
InChIInChI=1S/C9H11N5O/c10-8-7(12-9(15)13-8)6-3-11-4-14(6)5-1-2-5/h3-5,7H,1-2H2,(H3,10,12,13,15)
InChIKeyFEBNXDUCLMYNOV-UHFFFAOYSA-N
XLogP0.34
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one (CID 79959420) is 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1cncn1C1CC1.
What is the InChIKey of 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one?
The InChIKey is FEBNXDUCLMYNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-7(12-9(15)13-8)6-3-11-4-14(6)5-1-2-5/h3-5,7H,1-2H2,(H3,10,12,13,15).
What are the key properties of 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one?
4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79959420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).