4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine

C15H14N4S — CID 121475993

IUPAC4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-n2ccnc2Cc2ccccc2)n1
InChIInChI=1S/C15H14N4S/c1-20-15-17-8-7-13(18-15)19-10-9-16-14(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyFWKMEKWTKXIWLV-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.97
Rot. Bonds4

About 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine

4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine (PubChem CID 121475993) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine
PubChem CID121475993
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-n2ccnc2Cc2ccccc2)n1
InChIInChI=1S/C15H14N4S/c1-20-15-17-8-7-13(18-15)19-10-9-16-14(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyFWKMEKWTKXIWLV-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine (CID 121475993) is 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine is CSc1nccc(-n2ccnc2Cc2ccccc2)n1.
What is the InChIKey of 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine?
The InChIKey is FWKMEKWTKXIWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-20-15-17-8-7-13(18-15)19-10-9-16-14(19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine?
4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine has a molecular weight of 282.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylimidazol-1-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 121475993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).