N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide

C23H20N4O — CID 50855888

IUPACN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)n1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-18-12-13-22(27(18)20-9-3-2-4-10-20)17-24-25-23(28)19-8-7-11-21(16-19)26-14-5-6-15-26/h2-17H,1H3,(H,25,28)/b24-17-
InChIKeyNGVPOURRHAIIFL-ULJHMMPZSA-N
MW368.44 g/mol
LogP4.34
Rot. Bonds5

About N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide

N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide (PubChem CID 50855888) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
PubChem CID50855888
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)n1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-18-12-13-22(27(18)20-9-3-2-4-10-20)17-24-25-23(28)19-8-7-11-21(16-19)26-14-5-6-15-26/h2-17H,1H3,(H,25,28)/b24-17-
InChIKeyNGVPOURRHAIIFL-ULJHMMPZSA-N
XLogP4.34
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50854816
[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
CID 50855920
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857574
N-[(E)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]-3-pyrrol-1-ylbenzamide
CID 126255017
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137045218
3-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 136961293
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]benzamide
CID 50856591
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50853902
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]benzamide
CID 126002547
3-chloro-N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]benzamide
CID 50855655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide (CID 50855888) is N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide is Cc1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)n1-c1ccccc1.
What is the InChIKey of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The InChIKey is NGVPOURRHAIIFL-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H20N4O/c1-18-12-13-22(27(18)20-9-3-2-4-10-20)17-24-25-23(28)19-8-7-11-21(16-19)26-14-5-6-15-26/h2-17H,1H3,(H,25,28)/b24-17-.
What are the key properties of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 50855888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).