5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

C20H23N5S — CID 53251473

IUPAC5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H23N5S/c1-4-9-24-13-17(18-6-5-10-26-18)23-19(24)8-7-16-12-25-15(3)11-14(2)21-20(25)22-16/h5-6,10-13H,4,7-9H2,1-3H3
InChIKeyMZYWJCNBDWXSJN-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.47
Rot. Bonds6

About 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (PubChem CID 53251473) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
PubChem CID53251473
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H23N5S/c1-4-9-24-13-17(18-6-5-10-26-18)23-19(24)8-7-16-12-25-15(3)11-14(2)21-20(25)22-16/h5-6,10-13H,4,7-9H2,1-3H3
InChIKeyMZYWJCNBDWXSJN-UHFFFAOYSA-N
XLogP4.47
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (CID 53251473) is 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is CCCn1cc(-c2cccs2)nc1CCc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MZYWJCNBDWXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-4-9-24-13-17(18-6-5-10-26-18)23-19(24)8-7-16-12-25-15(3)11-14(2)21-20(25)22-16/h5-6,10-13H,4,7-9H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 365.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(1-propyl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).