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

C14H15N3O4 — CID 4258341

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=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)
InChIKeyHMBSIIBOLKFHGJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.99
Rot. Bonds4

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 4258341) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID4258341
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=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)
InChIKeyHMBSIIBOLKFHGJ-UHFFFAOYSA-N
XLogP0.99
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate (CID 4258341) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is HMBSIIBOLKFHGJ-UHFFFAOYSA-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).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 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 [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 4258341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).