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

C19H16ClN5OS — CID 68699312

IUPAC2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1sc(Cl)cc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H16ClN5OS/c1-11-15(7-16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(6-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24)
InChIKeyKAJOQRUWHBLYSZ-UHFFFAOYSA-N
MW397.89 g/mol
LogP3.20
Rot. Bonds3

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

2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 68699312) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID68699312
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1sc(Cl)cc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H16ClN5OS/c1-11-15(7-16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(6-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24)
InChIKeyKAJOQRUWHBLYSZ-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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Related Compounds

(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
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CID 146622949
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
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CID 87747787
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CID 25063752
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
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[4-[(4S)-2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]phenyl] methanesulfonate
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 68699312) is 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is Cc1sc(Cl)cc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is KAJOQRUWHBLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-11-15(7-16(20)27-11)19(17(26)25(2)18(21)24-19)14-5-3-4-12(6-14)13-8-22-10-23-9-13/h3-10H,1-2H3,(H2,21,24).
What are the key properties of 2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(5-chloro-2-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-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 68699312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).