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

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

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Related Compounds

3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1S)-1-[5-(3-chloro-4-fluorophenoxy)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284695
3-[2-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285088
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273070
4-[1-[4-[(1S)-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]propyl]piperazine-1-carboxylic acid
CID 139507676
6-chloro-3-[1-[[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221954
(4S)-3-[2-[1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 146221941
3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285530

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).