2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine

C16H12Cl2N4 — CID 165415086

IUPAC2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-9-14(17)21-16(18)19-12/h2-10H,1H3/b8-7+
InChIKeyTUPZQGKAHIDGGV-BQYQJAHWSA-N
MW331.21 g/mol
LogP4.35
Rot. Bonds3

About 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine

2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine (PubChem CID 165415086) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine
PubChem CID165415086
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-9-14(17)21-16(18)19-12/h2-10H,1H3/b8-7+
InChIKeyTUPZQGKAHIDGGV-BQYQJAHWSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine (CID 165415086) is 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine is Cn1cc(-c2ccccc2)nc1/C=C/c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine?
The InChIKey is TUPZQGKAHIDGGV-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c1-22-10-13(11-5-3-2-4-6-11)20-15(22)8-7-12-9-14(17)21-16(18)19-12/h2-10H,1H3/b8-7+.
What are the key properties of 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine?
2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine has a molecular weight of 331.21 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]pyrimidine is sourced from PubChem (CID 165415086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).