3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

C19H25N3O3 — CID 125021533

IUPAC3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C19H25N3O3/c23-16-6-3-13-25-19(16)9-11-22(12-10-19)18(24)8-7-17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,16,23H,3,6-13H2,(H,20,21)/t16-/m1/s1
InChIKeyYKIDWCAEOLWTHP-MRXNPFEDSA-N
MW343.43 g/mol
LogP2.03
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 125021533) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID125021533
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C19H25N3O3/c23-16-6-3-13-25-19(16)9-11-22(12-10-19)18(24)8-7-17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,16,23H,3,6-13H2,(H,20,21)/t16-/m1/s1
InChIKeyYKIDWCAEOLWTHP-MRXNPFEDSA-N
XLogP2.03
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one (CID 125021533) is 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is YKIDWCAEOLWTHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-16-6-3-13-25-19(16)9-11-22(12-10-19)18(24)8-7-17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,16,23H,3,6-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 125021533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).