5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one

C12H17N5O2 — CID 79967467

IUPAC5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1cncn1C1CC1
InChIInChI=1S/C12H17N5O2/c1-19-5-4-16-10(11(13)15-12(16)18)9-6-14-7-17(9)8-2-3-8/h6-8,10H,2-5H2,1H3,(H2,13,15,18)
InChIKeyCTQFCXXJBGHEEO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.70
Rot. Bonds5

About 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one

5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one (PubChem CID 79967467) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
PubChem CID79967467
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1cncn1C1CC1
InChIInChI=1S/C12H17N5O2/c1-19-5-4-16-10(11(13)15-12(16)18)9-6-14-7-17(9)8-2-3-8/h6-8,10H,2-5H2,1H3,(H2,13,15,18)
InChIKeyCTQFCXXJBGHEEO-UHFFFAOYSA-N
XLogP0.70
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one (CID 79967467) is 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one is COCCN1C(=O)N=C(N)C1c1cncn1C1CC1.
What is the InChIKey of 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The InChIKey is CTQFCXXJBGHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-5-4-16-10(11(13)15-12(16)18)9-6-14-7-17(9)8-2-3-8/h6-8,10H,2-5H2,1H3,(H2,13,15,18).
What are the key properties of 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).