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

C25H23ClN4O — CID 59262502

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C25H23ClN4O/c26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17/h1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29)
InChIKeyYDGSZZSUIYTBRR-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.41
Rot. Bonds6

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one (PubChem CID 59262502) 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-4-ylethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one
PubChem CID59262502
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1
InChIInChI=1S/C25H23ClN4O/c26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17/h1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29)
InChIKeyYDGSZZSUIYTBRR-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-4-ylethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one (CID 59262502) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1ccncc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one?
The InChIKey is YDGSZZSUIYTBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-22-6-2-4-19(16-22)18-3-1-5-21(15-18)25(20-7-8-20)23(31)30(24(27)29-25)14-11-17-9-12-28-13-10-17/h1-6,9-10,12-13,15-16,20H,7-8,11,14H2,(H2,27,29).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-ylethyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-4-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-4-ylethyl)imidazol-4-one is sourced from PubChem (CID 59262502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).