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

C19H14N4O3S — CID 23770960

IUPAC8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCOc1ccc(-c2cnc(=S)n3cc(-c4cccc([N+](=O)[O-])c4)[nH]c23)cc1
InChIInChI=1S/C19H14N4O3S/c1-26-15-7-5-12(6-8-15)16-10-20-19(27)22-11-17(21-18(16)22)13-3-2-4-14(9-13)23(24)25/h2-11,21H,1H3
InChIKeyKYENGPODPHSONH-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.64
Rot. Bonds4

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

8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23770960) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23770960
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCOc1ccc(-c2cnc(=S)n3cc(-c4cccc([N+](=O)[O-])c4)[nH]c23)cc1
InChIInChI=1S/C19H14N4O3S/c1-26-15-7-5-12(6-8-15)16-10-20-19(27)22-11-17(21-18(16)22)13-3-2-4-14(9-13)23(24)25/h2-11,21H,1H3
InChIKeyKYENGPODPHSONH-UHFFFAOYSA-N
XLogP4.64
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23770960) is 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is COc1ccc(-c2cnc(=S)n3cc(-c4cccc([N+](=O)[O-])c4)[nH]c23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is KYENGPODPHSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-26-15-7-5-12(6-8-15)16-10-20-19(27)22-11-17(21-18(16)22)13-3-2-4-14(9-13)23(24)25/h2-11,21H,1H3.
What are the key properties of 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 378.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).