5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C21H23N5S — CID 44548778

IUPAC5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCCCn1cc(-c2ccccc2)nc1SCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C21H23N5S/c1-4-10-25-13-19(17-8-6-5-7-9-17)24-21(25)27-14-18-12-26-16(3)11-15(2)22-20(26)23-18/h5-9,11-13H,4,10,14H2,1-3H3
InChIKeyAAUKISQJZVSLBR-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.91
Rot. Bonds6

About 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 44548778) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID44548778
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCCCn1cc(-c2ccccc2)nc1SCc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C21H23N5S/c1-4-10-25-13-19(17-8-6-5-7-9-17)24-21(25)27-14-18-12-26-16(3)11-15(2)22-20(26)23-18/h5-9,11-13H,4,10,14H2,1-3H3
InChIKeyAAUKISQJZVSLBR-UHFFFAOYSA-N
XLogP4.91
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.91
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-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 44548778) is 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is CCCn1cc(-c2ccccc2)nc1SCc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AAUKISQJZVSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-4-10-25-13-19(17-8-6-5-7-9-17)24-21(25)27-14-18-12-26-16(3)11-15(2)22-20(26)23-18/h5-9,11-13H,4,10,14H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 377.52 g/mol, XLogP of 4.91, 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-[(4-phenyl-1-propylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 44548778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).