2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one

C19H18ClN3O — CID 59262540

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22)
InChIKeyBMNNJCHHHVKNJT-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.40
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one (PubChem CID 59262540) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
PubChem CID59262540
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22)
InChIKeyBMNNJCHHHVKNJT-UHFFFAOYSA-N
XLogP3.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one (CID 59262540) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one?
The InChIKey is BMNNJCHHHVKNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-23-17(24)19(14-8-9-14,22-18(23)21)15-6-2-4-12(10-15)13-5-3-7-16(20)11-13/h2-7,10-11,14H,8-9H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one has a molecular weight of 339.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one is sourced from PubChem (CID 59262540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).