azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone

C13H13N3O — CID 166196826

IUPACazetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC1
InChIInChI=1S/C13H13N3O/c17-13(15-7-1-8-15)11-2-4-12(5-3-11)16-9-6-14-10-16/h2-6,9-10H,1,7-8H2
InChIKeyPTVCPKCIAQNTIV-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.72
Rot. Bonds2

About azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone (PubChem CID 166196826) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
PubChem CID166196826
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Nameazetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC1
InChIInChI=1S/C13H13N3O/c17-13(15-7-1-8-15)11-2-4-12(5-3-11)16-9-6-14-10-16/h2-6,9-10H,1,7-8H2
InChIKeyPTVCPKCIAQNTIV-UHFFFAOYSA-N
XLogP1.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 91830346
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
(3R)-3-(cyclopropylmethyl)-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 97118475
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 11796495
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone (CID 166196826) is azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is PTVCPKCIAQNTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(15-7-1-8-15)11-2-4-12(5-3-11)16-9-6-14-10-16/h2-6,9-10H,1,7-8H2.
What are the key properties of azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone?
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 166196826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).