3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one

C16H20ClN3O — CID 11609202

IUPAC3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one
SMILESCN(C1=NC(=O)N(c2ccc(Cl)cc2)C1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-19(13-5-3-2-4-6-13)15-11-20(16(21)18-15)14-9-7-12(17)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyQTQWQETUBLUBLU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.94
Rot. Bonds2

About 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one

3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one (PubChem CID 11609202) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one
PubChem CID11609202
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one
SMILESCN(C1=NC(=O)N(c2ccc(Cl)cc2)C1)C1CCCCC1
InChIInChI=1S/C16H20ClN3O/c1-19(13-5-3-2-4-6-13)15-11-20(16(21)18-15)14-9-7-12(17)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeyQTQWQETUBLUBLU-UHFFFAOYSA-N
XLogP3.94
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one (CID 11609202) is 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one is CN(C1=NC(=O)N(c2ccc(Cl)cc2)C1)C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one?
The InChIKey is QTQWQETUBLUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-19(13-5-3-2-4-6-13)15-11-20(16(21)18-15)14-9-7-12(17)8-10-14/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one?
3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one has a molecular weight of 305.81 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[cyclohexyl(methyl)amino]-4H-imidazol-2-one is sourced from PubChem (CID 11609202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).