9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H24N4O2 — CID 97451065

IUPAC9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H24N4O2/c1-21-12-9-20-17(21)13-22-10-7-19(8-11-22)15-23(18(24)14-25-19)16-5-3-2-4-6-16/h2-6,9,12H,7-8,10-11,13-15H2,1H3
InChIKeyFJGKZNQEPFHXNY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds3

About 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451065) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451065
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C19H24N4O2/c1-21-12-9-20-17(21)13-22-10-7-19(8-11-22)15-23(18(24)14-25-19)16-5-3-2-4-6-16/h2-6,9,12H,7-8,10-11,13-15H2,1H3
InChIKeyFJGKZNQEPFHXNY-UHFFFAOYSA-N
XLogP1.82
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451065) is 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cn1ccnc1CN1CCC2(CC1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FJGKZNQEPFHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-12-9-20-17(21)13-22-10-7-19(8-11-22)15-23(18(24)14-25-19)16-5-3-2-4-6-16/h2-6,9,12H,7-8,10-11,13-15H2,1H3.
What are the key properties of 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).