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

C20H17N3S — CID 23931505

IUPAC8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1ccc(-c2cn3c(=S)ncc(-c4cccc(C)c4)c3[nH]2)cc1
InChIInChI=1S/C20H17N3S/c1-13-6-8-15(9-7-13)18-12-23-19(22-18)17(11-21-20(23)24)16-5-3-4-14(2)10-16/h3-12,22H,1-2H3
InChIKeyOITZYIIUGPVZNB-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.34
Rot. Bonds2

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

8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23931505) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23931505
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1ccc(-c2cn3c(=S)ncc(-c4cccc(C)c4)c3[nH]2)cc1
InChIInChI=1S/C20H17N3S/c1-13-6-8-15(9-7-13)18-12-23-19(22-18)17(11-21-20(23)24)16-5-3-4-14(2)10-16/h3-12,22H,1-2H3
InChIKeyOITZYIIUGPVZNB-UHFFFAOYSA-N
XLogP5.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23931505) is 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is Cc1ccc(-c2cn3c(=S)ncc(-c4cccc(C)c4)c3[nH]2)cc1.
What is the InChIKey of 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is OITZYIIUGPVZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-13-6-8-15(9-7-13)18-12-23-19(22-18)17(11-21-20(23)24)16-5-3-4-14(2)10-16/h3-12,22H,1-2H3.
What are the key properties of 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 331.44 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23931505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).