5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

C16H19N3O2 — CID 169489605

IUPAC5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C(=O)N3CCc4ccccc43)CC2N1
InChIInChI=1S/C16H19N3O2/c20-15(19-8-7-10-3-1-2-4-14(10)19)11-5-6-12-13(9-11)18-16(21)17-12/h1-4,11-13H,5-9H2,(H2,17,18,21)
InChIKeySZLRXJZWIWVHRO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.43
Rot. Bonds1

About 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (PubChem CID 169489605) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
PubChem CID169489605
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one
SMILESO=C1NC2CCC(C(=O)N3CCc4ccccc43)CC2N1
InChIInChI=1S/C16H19N3O2/c20-15(19-8-7-10-3-1-2-4-14(10)19)11-5-6-12-13(9-11)18-16(21)17-12/h1-4,11-13H,5-9H2,(H2,17,18,21)
InChIKeySZLRXJZWIWVHRO-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one (CID 169489605) is 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is O=C1NC2CCC(C(=O)N3CCc4ccccc43)CC2N1.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
The InChIKey is SZLRXJZWIWVHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(19-8-7-10-3-1-2-4-14(10)19)11-5-6-12-13(9-11)18-16(21)17-12/h1-4,11-13H,5-9H2,(H2,17,18,21).
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one?
5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one is sourced from PubChem (CID 169489605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).