2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C18H17N5O — CID 53251310

IUPAC2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4ccco4)cn3C)nc2n1
InChIInChI=1S/C18H17N5O/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+
InChIKeyHRLHFIWVVVFFOZ-VOTSOKGWSA-N
MW319.37 g/mol
LogP3.51
Rot. Bonds3

About 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 53251310) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID53251310
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4ccco4)cn3C)nc2n1
InChIInChI=1S/C18H17N5O/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+
InChIKeyHRLHFIWVVVFFOZ-VOTSOKGWSA-N
XLogP3.51
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 60531
CID 60531
CID 9836155
CID 9836155
CID 44401799
CID 44401799
CID 44401938
CID 44401938
CID 650866
CID 650866
CID 5270751
CID 5270751
CID 156324
CID 156324
CID 4179181
CID 4179181
CID 44401937
CID 44401937
CID 6538801
CID 6538801
CID 1481666
CID 1481666
CID 1481670
CID 1481670

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 53251310) is 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(/C=C/c3nc(-c4ccco4)cn3C)nc2n1.
What is the InChIKey of 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is HRLHFIWVVVFFOZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H17N5O/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 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).