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

C9H11N5O — CID 82996219

IUPAC2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cncn2C2CC2)C(=O)N1
InChIInChI=1S/C9H11N5O/c10-9-12-7(8(15)13-9)6-3-11-4-14(6)5-1-2-5/h3-5,7H,1-2H2,(H3,10,12,13,15)
InChIKeyJITASLCVBYGBIA-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.30
Rot. Bonds2

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

2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one (PubChem CID 82996219) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one
PubChem CID82996219
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESNC1=NC(c2cncn2C2CC2)C(=O)N1
InChIInChI=1S/C9H11N5O/c10-9-12-7(8(15)13-9)6-3-11-4-14(6)5-1-2-5/h3-5,7H,1-2H2,(H3,10,12,13,15)
InChIKeyJITASLCVBYGBIA-UHFFFAOYSA-N
XLogP-0.30
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-(3-cyclopropylimidazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79959420
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 115926987
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
3-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 66141887
2-amino-4-(6-methyl-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 104824181
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole
CID 82775389
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79967467
6-amino-7-(3-cyclopropylimidazol-4-yl)-1-(2-methylpropyl)azepan-2-one
CID 66163552
5-chloro-1-cyclopropylimidazole
CID 169168171
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one (CID 82996219) is 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one is NC1=NC(c2cncn2C2CC2)C(=O)N1.
What is the InChIKey of 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is JITASLCVBYGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-9-12-7(8(15)13-9)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 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 205.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyclopropylimidazol-4-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).