2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine

C19H15N5 — CID 45137565

IUPAC2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(Cc4ccccn4)[nH]3)cn2)cc1
InChIInChI=1S/C19H15N5/c1-2-6-14(7-3-1)19-22-11-15(12-23-19)17-13-21-18(24-17)10-16-8-4-5-9-20-16/h1-9,11-13H,10H2,(H,21,24)
InChIKeyZEXYMNLWBCWZRY-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.52
Rot. Bonds4

About 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine

2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine (PubChem CID 45137565) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine
PubChem CID45137565
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(Cc4ccccn4)[nH]3)cn2)cc1
InChIInChI=1S/C19H15N5/c1-2-6-14(7-3-1)19-22-11-15(12-23-19)17-13-21-18(24-17)10-16-8-4-5-9-20-16/h1-9,11-13H,10H2,(H,21,24)
InChIKeyZEXYMNLWBCWZRY-UHFFFAOYSA-N
XLogP3.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine (CID 45137565) is 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine is c1ccc(-c2ncc(-c3cnc(Cc4ccccn4)[nH]3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine?
The InChIKey is ZEXYMNLWBCWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-6-14(7-3-1)19-22-11-15(12-23-19)17-13-21-18(24-17)10-16-8-4-5-9-20-16/h1-9,11-13H,10H2,(H,21,24).
What are the key properties of 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine?
2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine has a molecular weight of 313.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 45137565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).