methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate

C20H15N3O2S — CID 1189232

IUPACmethyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sc1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C20H15N3O2S/c1-25-19(24)15-10-5-6-11-16(15)26-18-17(14-8-3-2-4-9-14)22-20-21-12-7-13-23(18)20/h2-13H,1H3
InChIKeyUKGRHTMVPYIDRC-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.33
Rot. Bonds4

About methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate

methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate (PubChem CID 1189232) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate
PubChem CID1189232
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Namemethyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sc1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C20H15N3O2S/c1-25-19(24)15-10-5-6-11-16(15)26-18-17(14-8-3-2-4-9-14)22-20-21-12-7-13-23(18)20/h2-13H,1H3
InChIKeyUKGRHTMVPYIDRC-UHFFFAOYSA-N
XLogP4.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate?
The IUPAC name of methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate (CID 1189232) is methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate.
What is the SMILES notation for methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate?
The canonical SMILES for methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate is COC(=O)c1ccccc1Sc1c(-c2ccccc2)nc2ncccn12.
What is the InChIKey of methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate?
The InChIKey is UKGRHTMVPYIDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-19(24)15-10-5-6-11-16(15)26-18-17(14-8-3-2-4-9-14)22-20-21-12-7-13-23(18)20/h2-13H,1H3.
What are the key properties of methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate?
methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate has a molecular weight of 361.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)sulfanylbenzoate is sourced from PubChem (CID 1189232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).