2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one

C20H16ClN5O — CID 59262316

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one
SMILESCN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14/h2-12H,1H3,(H2,22,25)
InChIKeyIVSABKDCMZRDBN-UHFFFAOYSA-N
MW377.84 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one (PubChem CID 59262316) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one
PubChem CID59262316
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one
SMILESCN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14/h2-12H,1H3,(H2,22,25)
InChIKeyIVSABKDCMZRDBN-UHFFFAOYSA-N
XLogP2.83
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one (CID 59262316) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one is CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one?
The InChIKey is IVSABKDCMZRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14/h2-12H,1H3,(H2,22,25).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one has a molecular weight of 377.84 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one is sourced from PubChem (CID 59262316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).