trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

C14H15N3O4 — CID 2097887

About trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 2097887) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
• PubChem CID: 2097887
• Molecular Formula: C14H15N3O4
• Molecular Weight: 289.29 g/mol
• Exact Mass: 289.11
• IUPAC Name: trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
• SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C14H15N3O4/c1-7-4-9(7)13(19)21-6-12(18)15-8-2-3-10-11(5-8)17-14(20)16-10/h2-3,5,7,9H,4,6H2,1H3,(H,15,18)(H2,16,17,20)/t7-,9-/m1/s1
• InChIKey: HMBSIIBOLKFHGJ-VXNVDRBHSA-N
• XLogP: 0.99
• TPSA: 104.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.29
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate?

The IUPAC name of trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate (CID 2097887) is trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate.

What is the SMILES notation for trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate?

The canonical SMILES for trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate is C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate?

The InChIKey is HMBSIIBOLKFHGJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-7-4-9(7)13(19)21-6-12(18)15-8-2-3-10-11(5-8)17-14(20)16-10/h2-3,5,7,9H,4,6H2,1H3,(H,15,18)(H2,16,17,20)/t7-,9-/m1/s1.

What are the key properties of trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate?

trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2097887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).