7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

C20H15ClN4O — CID 122622131

IUPAC7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESClc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cn1
InChIInChI=1S/C20H15ClN4O/c21-20-22-9-15(10-23-20)14-6-7-16-17(8-14)25-18(11-26-12-19(25)24-16)13-4-2-1-3-5-13/h1-10,18H,11-12H2
InChIKeyPOTFODWTQSOXLL-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.27
Rot. Bonds2

About 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (PubChem CID 122622131) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
PubChem CID122622131
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
SMILESClc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cn1
InChIInChI=1S/C20H15ClN4O/c21-20-22-9-15(10-23-20)14-6-7-16-17(8-14)25-18(11-26-12-19(25)24-16)13-4-2-1-3-5-13/h1-10,18H,11-12H2
InChIKeyPOTFODWTQSOXLL-UHFFFAOYSA-N
XLogP4.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The IUPAC name of 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole (CID 122622131) is 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole.
What is the SMILES notation for 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The canonical SMILES for 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is Clc1ncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)COC4)cn1.
What is the InChIKey of 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
The InChIKey is POTFODWTQSOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-20-22-9-15(10-23-20)14-6-7-16-17(8-14)25-18(11-26-12-19(25)24-16)13-4-2-1-3-5-13/h1-10,18H,11-12H2.
What are the key properties of 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole?
7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole has a molecular weight of 362.82 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole is sourced from PubChem (CID 122622131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).