2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C19H16ClN5OS — CID 56658437

IUPAC2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(Cl)s1
InChIInChI=1S/C19H16ClN5OS/c1-11-6-15(16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(7-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24)
InChIKeyZWXIWSLPGZVVNP-UHFFFAOYSA-N
MW397.89 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56658437) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56658437
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(Cl)s1
InChIInChI=1S/C19H16ClN5OS/c1-11-6-15(16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(7-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24)
InChIKeyZWXIWSLPGZVVNP-UHFFFAOYSA-N
XLogP3.20
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56658437) is 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(Cl)s1.
What is the InChIKey of 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is ZWXIWSLPGZVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-11-6-15(16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(7-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24).
What are the key properties of 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 397.89 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56658437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).