2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C18H17N5O — CID 87327160

IUPAC2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4ccoc4)cn3C)nc2n1
InChIInChI=1S/C18H17N5O/c1-12-8-13(2)23-9-15(20-18(23)19-12)4-5-17-21-16(10-22(17)3)14-6-7-24-11-14/h4-11H,1-3H3/b5-4+
InChIKeyRLSQUACJBCMZAE-SNAWJCMRSA-N
MW319.37 g/mol
LogP3.51
Rot. Bonds3

About 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 87327160) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID87327160
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(/C=C/c3nc(-c4ccoc4)cn3C)nc2n1
InChIInChI=1S/C18H17N5O/c1-12-8-13(2)23-9-15(20-18(23)19-12)4-5-17-21-16(10-22(17)3)14-6-7-24-11-14/h4-11H,1-3H3/b5-4+
InChIKeyRLSQUACJBCMZAE-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 87327160) is 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(/C=C/c3nc(-c4ccoc4)cn3C)nc2n1.
What is the InChIKey of 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is RLSQUACJBCMZAE-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-8-13(2)23-9-15(20-18(23)19-12)4-5-17-21-16(10-22(17)3)14-6-7-24-11-14/h4-11H,1-3H3/b5-4+.
What are the key properties of 2-[(E)-2-[4-(furan-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(E)-2-[4-(furan-3-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-3-yl)-1-methylimidazol-2-yl]ethenyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 87327160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).