4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one

C10H8ClN3O3 — CID 79961739

IUPAC4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C10H8ClN3O3/c11-5-1-4(2-6-8(5)17-3-16-6)7-9(12)14-10(15)13-7/h1-2,7H,3H2,(H3,12,13,14,15)
InChIKeyWQHCXMGPTAGRJL-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.19
Rot. Bonds1

About 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one

4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one (PubChem CID 79961739) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.64 g/mol. Its IUPAC name is 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
PubChem CID79961739
Molecular FormulaC10H8ClN3O3
Molecular Weight253.64 g/mol
Exact Mass253.03
IUPAC Name4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C10H8ClN3O3/c11-5-1-4(2-6-8(5)17-3-16-6)7-9(12)14-10(15)13-7/h1-2,7H,3H2,(H3,12,13,14,15)
InChIKeyWQHCXMGPTAGRJL-UHFFFAOYSA-N
XLogP1.19
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one (CID 79961739) is 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
The InChIKey is WQHCXMGPTAGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-5-1-4(2-6-8(5)17-3-16-6)7-9(12)14-10(15)13-7/h1-2,7H,3H2,(H3,12,13,14,15).
What are the key properties of 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one?
4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one has a molecular weight of 253.64 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(7-chloro-1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79961739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).