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

C9H8ClN3O — CID 79960805

IUPAC4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyAENIUCZLYHRSNI-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.46
Rot. Bonds1

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

4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one (PubChem CID 79960805) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
PubChem CID79960805
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14)
InChIKeyAENIUCZLYHRSNI-UHFFFAOYSA-N
XLogP1.46
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one (CID 79960805) is 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1cccc(Cl)c1.
What is the InChIKey of 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one?
The InChIKey is AENIUCZLYHRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-9(14)12-7/h1-4,7H,(H3,11,12,13,14).
What are the key properties of 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one has a molecular weight of 209.64 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79960805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).