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

C25H23ClN4O — CID 11697688

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C25H23ClN4O/c26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22/h1-9,13,15-16,19H,10-12,14H2,(H2,27,29)
InChIKeyCEIBNJXFDCEWOU-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.41
Rot. Bonds6

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one (PubChem CID 11697688) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one
PubChem CID11697688
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1
InChIInChI=1S/C25H23ClN4O/c26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22/h1-9,13,15-16,19H,10-12,14H2,(H2,27,29)
InChIKeyCEIBNJXFDCEWOU-UHFFFAOYSA-N
XLogP4.41
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.41
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-(2-pyridin-2-ylethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one (CID 11697688) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccccn1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one?
The InChIKey is CEIBNJXFDCEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-21-8-4-6-18(16-21)17-5-3-7-20(15-17)25(19-10-11-19)23(31)30(24(27)29-25)14-12-22-9-1-2-13-28-22/h1-9,13,15-16,19H,10-12,14H2,(H2,27,29).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-2-ylethyl)imidazol-4-one has a molecular weight of 430.94 g/mol, XLogP of 4.41, 6 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-(2-pyridin-2-ylethyl)imidazol-4-one is sourced from PubChem (CID 11697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).