3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C16H15ClN6O2 — CID 130285405

IUPAC3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)n1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-9(14-20-11-3-2-10(17)8-12(11)21-14)19-15-18-5-4-13(22-15)23-6-7-25-16(23)24/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyNTWJQOLMDZCYKL-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.14
Rot. Bonds4

About 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285405) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285405
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)n1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-9(14-20-11-3-2-10(17)8-12(11)21-14)19-15-18-5-4-13(22-15)23-6-7-25-16(23)24/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyNTWJQOLMDZCYKL-UHFFFAOYSA-N
XLogP3.14
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285405) is 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2CCOC2=O)n1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NTWJQOLMDZCYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-9(14-20-11-3-2-10(17)8-12(11)21-14)19-15-18-5-4-13(22-15)23-6-7-25-16(23)24/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 358.79 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).