5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one

C16H15N3O2 — CID 107681837

IUPAC5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NC3CCc4cc(O)ccc43)cc2[nH]1
InChIInChI=1S/C16H15N3O2/c20-11-3-4-12-9(7-11)1-5-13(12)17-10-2-6-14-15(8-10)19-16(21)18-14/h2-4,6-8,13,17,20H,1,5H2,(H2,18,19,21)
InChIKeySZTJOKMKZCLFTD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.66
Rot. Bonds2

About 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 107681837) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID107681837
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NC3CCc4cc(O)ccc43)cc2[nH]1
InChIInChI=1S/C16H15N3O2/c20-11-3-4-12-9(7-11)1-5-13(12)17-10-2-6-14-15(8-10)19-16(21)18-14/h2-4,6-8,13,17,20H,1,5H2,(H2,18,19,21)
InChIKeySZTJOKMKZCLFTD-UHFFFAOYSA-N
XLogP2.66
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one (CID 107681837) is 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NC3CCc4cc(O)ccc43)cc2[nH]1.
What is the InChIKey of 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SZTJOKMKZCLFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-11-3-4-12-9(7-11)1-5-13(12)17-10-2-6-14-15(8-10)19-16(21)18-14/h2-4,6-8,13,17,20H,1,5H2,(H2,18,19,21).
What are the key properties of 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107681837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).