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

C16H20ClN3O — CID 11681067

IUPAC5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c17-13-6-8-14(9-7-13)20-12-15(18-16(20)21)19-10-4-2-1-3-5-11-19/h6-9H,1-5,10-12H2
InChIKeyDIQDINPKKVDRCW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.94
Rot. Bonds1

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

5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one (PubChem CID 11681067) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
PubChem CID11681067
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O/c17-13-6-8-14(9-7-13)20-12-15(18-16(20)21)19-10-4-2-1-3-5-11-19/h6-9H,1-5,10-12H2
InChIKeyDIQDINPKKVDRCW-UHFFFAOYSA-N
XLogP3.94
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The IUPAC name of 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one (CID 11681067) is 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one is O=C1N=C(N2CCCCCCC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
The InChIKey is DIQDINPKKVDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-6-8-14(9-7-13)20-12-15(18-16(20)21)19-10-4-2-1-3-5-11-19/h6-9H,1-5,10-12H2.
What are the key properties of 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one?
5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one has a molecular weight of 305.81 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-3-(4-chlorophenyl)-4H-imidazol-2-one is sourced from PubChem (CID 11681067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).