3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H22N6O2 — CID 130273070

About 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130273070) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 130273070
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3[nH]2)n1
• InChI: InChI=1S/C19H22N6O2/c1-11(2)15-10-27-19(26)25(15)16-8-9-20-18(24-16)21-12(3)17-22-13-6-4-5-7-14(13)23-17/h4-9,11-12,15H,10H2,1-3H3,(H,22,23)(H,20,21,24)/t12-,15?/m0/s1
• InChIKey: RIVHIOJAMAMWLZ-SFVWDYPZSA-N
• XLogP: 3.51
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130273070) is 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3[nH]2)n1.

What is the InChIKey of 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is RIVHIOJAMAMWLZ-SFVWDYPZSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11(2)15-10-27-19(26)25(15)16-8-9-20-18(24-16)21-12(3)17-22-13-6-4-5-7-14(13)23-17/h4-9,11-12,15H,10H2,1-3H3,(H,22,23)(H,20,21,24)/t12-,15?/m0/s1.

What are the key properties of 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?

3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 366.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130273070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).