8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

C21H19N3O2S — CID 23988869

IUPAC8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCCOc1ccc(-c2cnc(=S)n3cc(-c4cccc(OC)c4)[nH]c23)cc1
InChIInChI=1S/C21H19N3O2S/c1-3-26-16-9-7-14(8-10-16)18-12-22-21(27)24-13-19(23-20(18)24)15-5-4-6-17(11-15)25-2/h4-13,23H,3H2,1-2H3
InChIKeyQOJOMILCOXXVKM-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.13
Rot. Bonds5

About 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23988869) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23988869
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCCOc1ccc(-c2cnc(=S)n3cc(-c4cccc(OC)c4)[nH]c23)cc1
InChIInChI=1S/C21H19N3O2S/c1-3-26-16-9-7-14(8-10-16)18-12-22-21(27)24-13-19(23-20(18)24)15-5-4-6-17(11-15)25-2/h4-13,23H,3H2,1-2H3
InChIKeyQOJOMILCOXXVKM-UHFFFAOYSA-N
XLogP5.13
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-8-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23765467
8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23770960
8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23931505
6-(4-ethoxyphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23935817
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
2-(3-ethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106519900
3-(3-ethoxyphenyl)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 69209276
3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
CID 173054294
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
4-(4-ethoxyphenyl)-3-ethylsulfanyl-5-(3-methoxyphenyl)-1,2,4-triazole
CID 2087868
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
4-ethyl-5-(3-methoxyphenyl)pyridin-2-amine
CID 171854790

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23988869) is 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is CCOc1ccc(-c2cnc(=S)n3cc(-c4cccc(OC)c4)[nH]c23)cc1.
What is the InChIKey of 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is QOJOMILCOXXVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-3-26-16-9-7-14(8-10-16)18-12-22-21(27)24-13-19(23-20(18)24)15-5-4-6-17(11-15)25-2/h4-13,23H,3H2,1-2H3.
What are the key properties of 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 377.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23988869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).