1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

C23H25N3O2 — CID 50856664

IUPAC1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-18-3-6-22(26(18)21-9-11-23(27-2)12-10-21)17-24-19-4-7-20(8-5-19)25-13-15-28-16-14-25/h3-12,17H,13-16H2,1-2H3/b24-17+
InChIKeyCGHLOHMUANVVQS-JJIBRWJFSA-N
MW375.47 g/mol
LogP4.38
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 50856664) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID50856664
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1ccc(-n2c(C)ccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-18-3-6-22(26(18)21-9-11-23(27-2)12-10-21)17-24-19-4-7-20(8-5-19)25-13-15-28-16-14-25/h3-12,17H,13-16H2,1-2H3/b24-17+
InChIKeyCGHLOHMUANVVQS-JJIBRWJFSA-N
XLogP4.38
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chlorophenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856718
N-(3-methoxyphenyl)-1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methanimine
CID 50856867
3-[[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzoic acid
CID 50856715
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
1-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 5011021
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 50856664) is 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is COc1ccc(-n2c(C)ccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is CGHLOHMUANVVQS-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-18-3-6-22(26(18)21-9-11-23(27-2)12-10-21)17-24-19-4-7-20(8-5-19)25-13-15-28-16-14-25/h3-12,17H,13-16H2,1-2H3/b24-17+.
What are the key properties of 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 375.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 50856664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).