5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine

C18H17N5S — CID 53251307

IUPAC5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3C)nc2n1
InChIInChI=1S/C18H17N5S/c1-12-9-13(2)23-10-14(20-18(23)19-12)6-7-17-21-15(11-22(17)3)16-5-4-8-24-16/h4-11H,1-3H3/b7-6+
InChIKeyUDWOTZRAXNIBQQ-VOTSOKGWSA-N
MW335.44 g/mol
LogP3.98
Rot. Bonds3

About 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine (PubChem CID 53251307) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine
PubChem CID53251307
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3C)nc2n1
InChIInChI=1S/C18H17N5S/c1-12-9-13(2)23-10-14(20-18(23)19-12)6-7-17-21-15(11-22(17)3)16-5-4-8-24-16/h4-11H,1-3H3/b7-6+
InChIKeyUDWOTZRAXNIBQQ-VOTSOKGWSA-N
XLogP3.98
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine (CID 53251307) is 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is UDWOTZRAXNIBQQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12-9-13(2)23-10-14(20-18(23)19-12)6-7-17-21-15(11-22(17)3)16-5-4-8-24-16/h4-11H,1-3H3/b7-6+.
What are the key properties of 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 335.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).