5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one

C15H18ClN3O — CID 11687898

IUPAC5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-5-7-13(8-6-12)19-11-14(17-15(19)20)18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2
InChIKeyHYXZFYIBJJAXSG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.55
Rot. Bonds1

About 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one

5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one (PubChem CID 11687898) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
PubChem CID11687898
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-5-7-13(8-6-12)19-11-14(17-15(19)20)18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2
InChIKeyHYXZFYIBJJAXSG-UHFFFAOYSA-N
XLogP3.55
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The IUPAC name of 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one (CID 11687898) is 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one is O=C1N=C(N2CCCCCC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The InChIKey is HYXZFYIBJJAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-5-7-13(8-6-12)19-11-14(17-15(19)20)18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2.
What are the key properties of 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one has a molecular weight of 291.78 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one is sourced from PubChem (CID 11687898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).