N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine

C21H21N3O — CID 50854805

IUPACN-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESC(=N/c1ccc(N2CCOCC2)cc1)\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-4-20(5-3-1)24-11-10-18(17-24)16-22-19-6-8-21(9-7-19)23-12-14-25-15-13-23/h1-11,16-17H,12-15H2/b22-16+
InChIKeyMNFCFKSOIZWADZ-CJLVFECKSA-N
MW331.42 g/mol
LogP4.06
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine

N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine (PubChem CID 50854805) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
PubChem CID50854805
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
SMILESC(=N/c1ccc(N2CCOCC2)cc1)\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-4-20(5-3-1)24-11-10-18(17-24)16-22-19-6-8-21(9-7-19)23-12-14-25-15-13-23/h1-11,16-17H,12-15H2/b22-16+
InChIKeyMNFCFKSOIZWADZ-CJLVFECKSA-N
XLogP4.06
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855402
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854962
[4-[4-(benzylideneamino)phenyl]piperazin-1-yl]methanedithiol
CID 58131608
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine (CID 50854805) is N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine is C(=N/c1ccc(N2CCOCC2)cc1)\c1ccn(-c2ccccc2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
The InChIKey is MNFCFKSOIZWADZ-CJLVFECKSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-4-20(5-3-1)24-11-10-18(17-24)16-22-19-6-8-21(9-7-19)23-12-14-25-15-13-23/h1-11,16-17H,12-15H2/b22-16+.
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine?
N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine has a molecular weight of 331.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50854805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).