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

C23H19ClN4O — CID 59387173

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1c1cccnc1
InChIInChI=1S/C23H19ClN4O/c24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(29)28(22(25)27-23)20-8-3-11-26-14-20/h1-8,11-14,17H,9-10H2,(H2,25,27)
InChIKeyMJPXTUMJEBDDOF-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.37
Rot. Bonds4

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one (PubChem CID 59387173) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one
PubChem CID59387173
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1c1cccnc1
InChIInChI=1S/C23H19ClN4O/c24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(29)28(22(25)27-23)20-8-3-11-26-14-20/h1-8,11-14,17H,9-10H2,(H2,25,27)
InChIKeyMJPXTUMJEBDDOF-UHFFFAOYSA-N
XLogP4.37
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one (CID 59387173) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1c1cccnc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one?
The InChIKey is MJPXTUMJEBDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(29)28(22(25)27-23)20-8-3-11-26-14-20/h1-8,11-14,17H,9-10H2,(H2,25,27).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one has a molecular weight of 402.89 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one is sourced from PubChem (CID 59387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).