2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine

C19H18N6O — CID 56871530

IUPAC2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2C(Cn2cccn2)c2ccccc2)cn1
InChIInChI=1S/C19H18N6O/c1-26-19-21-12-16(13-22-19)18-20-9-11-25(18)17(14-24-10-5-8-23-24)15-6-3-2-4-7-15/h2-13,17H,14H2,1H3
InChIKeyXFSGGVDVWIFVMH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.83
Rot. Bonds6

About 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine

2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine (PubChem CID 56871530) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
PubChem CID56871530
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2C(Cn2cccn2)c2ccccc2)cn1
InChIInChI=1S/C19H18N6O/c1-26-19-21-12-16(13-22-19)18-20-9-11-25(18)17(14-24-10-5-8-23-24)15-6-3-2-4-7-15/h2-13,17H,14H2,1H3
InChIKeyXFSGGVDVWIFVMH-UHFFFAOYSA-N
XLogP2.83
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine (CID 56871530) is 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine is COc1ncc(-c2nccn2C(Cn2cccn2)c2ccccc2)cn1.
What is the InChIKey of 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The InChIKey is XFSGGVDVWIFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-26-19-21-12-16(13-22-19)18-20-9-11-25(18)17(14-24-10-5-8-23-24)15-6-3-2-4-7-15/h2-13,17H,14H2,1H3.
What are the key properties of 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(1-phenyl-2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56871530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).