5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine

C19H15N5O — CID 67360379

IUPAC5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine
SMILESCc1[nH]c(-c2cccnc2)nc1-c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H15N5O/c1-13-17(24-18(23-13)14-6-5-9-20-10-14)15-11-21-19(22-12-15)25-16-7-3-2-4-8-16/h2-12H,1H3,(H,23,24)
InChIKeyQBCTVMATKUDHSQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.03
Rot. Bonds4

About 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine

5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine (PubChem CID 67360379) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine.

Molecular Properties

Compound Name5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine
PubChem CID67360379
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine
SMILESCc1[nH]c(-c2cccnc2)nc1-c1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C19H15N5O/c1-13-17(24-18(23-13)14-6-5-9-20-10-14)15-11-21-19(22-12-15)25-16-7-3-2-4-8-16/h2-12H,1H3,(H,23,24)
InChIKeyQBCTVMATKUDHSQ-UHFFFAOYSA-N
XLogP4.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine?
The IUPAC name of 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine (CID 67360379) is 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine.
What is the SMILES notation for 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine?
The canonical SMILES for 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine is Cc1[nH]c(-c2cccnc2)nc1-c1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine?
The InChIKey is QBCTVMATKUDHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-17(24-18(23-13)14-6-5-9-20-10-14)15-11-21-19(22-12-15)25-16-7-3-2-4-8-16/h2-12H,1H3,(H,23,24).
What are the key properties of 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine?
5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine has a molecular weight of 329.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-phenoxypyrimidine is sourced from PubChem (CID 67360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).