9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H29N3O2 — CID 72867792

IUPAC9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCCCCc1ncc(CN2CCC3(CC2)OCCCC3O)[nH]1
InChIInChI=1S/C17H29N3O2/c1-2-3-6-16-18-12-14(19-16)13-20-9-7-17(8-10-20)15(21)5-4-11-22-17/h12,15,21H,2-11,13H2,1H3,(H,18,19)
InChIKeyIXOKXIMRWDWWMQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.26
Rot. Bonds5

About 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72867792) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72867792
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCCCCc1ncc(CN2CCC3(CC2)OCCCC3O)[nH]1
InChIInChI=1S/C17H29N3O2/c1-2-3-6-16-18-12-14(19-16)13-20-9-7-17(8-10-20)15(21)5-4-11-22-17/h12,15,21H,2-11,13H2,1H3,(H,18,19)
InChIKeyIXOKXIMRWDWWMQ-UHFFFAOYSA-N
XLogP2.26
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72867792) is 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is CCCCc1ncc(CN2CCC3(CC2)OCCCC3O)[nH]1.
What is the InChIKey of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is IXOKXIMRWDWWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-2-3-6-16-18-12-14(19-16)13-20-9-7-17(8-10-20)15(21)5-4-11-22-17/h12,15,21H,2-11,13H2,1H3,(H,18,19).
What are the key properties of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 307.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72867792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).