(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

C19H23N3O2 — CID 91830346

IUPAC(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C19H23N3O2/c23-18(16-2-4-17(5-3-16)22-11-9-20-15-22)21-10-1-6-19(14-21)7-12-24-13-8-19/h2-5,9,11,15H,1,6-8,10,12-14H2
InChIKeyRFPRGRBOXPDZMX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.91
Rot. Bonds2

About (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone

(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 91830346) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID91830346
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C19H23N3O2/c23-18(16-2-4-17(5-3-16)22-11-9-20-15-22)21-10-1-6-19(14-21)7-12-24-13-8-19/h2-5,9,11,15H,1,6-8,10,12-14H2
InChIKeyRFPRGRBOXPDZMX-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(3R)-3-(cyclopropylmethyl)-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 97118475
[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72842923
2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
CID 121496958
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
2-acetyl-8-(4-imidazol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 131647405
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420793
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone (CID 91830346) is (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is RFPRGRBOXPDZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(16-2-4-17(5-3-16)22-11-9-20-15-22)21-10-1-6-19(14-21)7-12-24-13-8-19/h2-5,9,11,15H,1,6-8,10,12-14H2.
What are the key properties of (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone?
(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 91830346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).