4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine

C23H25N5O2 — CID 135876509

IUPAC4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26)
InChIKeyWMETXWBOGZVWJY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.19
Rot. Bonds7

About 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine

4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine (PubChem CID 135876509) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
PubChem CID135876509
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26)
InChIKeyWMETXWBOGZVWJY-UHFFFAOYSA-N
XLogP3.19
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
CID 23019978
4-[2-[4-(1-benzyl-6-chloroimidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine
CID 141085119
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278992
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
CID 168555244

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine (CID 135876509) is 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine is c1ccc(Cn2ncc3[nH]c(-c4ccccc4OCCN4CCOCC4)nc32)cc1.
What is the InChIKey of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
The InChIKey is WMETXWBOGZVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-6-18(7-3-1)17-28-23-20(16-24-28)25-22(26-23)19-8-4-5-9-21(19)30-15-12-27-10-13-29-14-11-27/h1-9,16H,10-15,17H2,(H,25,26).
What are the key properties of 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine?
4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 135876509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).