N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide

C22H18N4O — CID 50854816

IUPACN-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1ccn(-c2ccccc2)c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H18N4O/c27-22(19-7-6-10-21(15-19)25-12-4-5-13-25)24-23-16-18-11-14-26(17-18)20-8-2-1-3-9-20/h1-17H,(H,24,27)/b23-16+
InChIKeyRGMNKLIKWGBALC-XQNSMLJCSA-N
MW354.41 g/mol
LogP4.03
Rot. Bonds5

About N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide

N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide (PubChem CID 50854816) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
PubChem CID50854816
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1ccn(-c2ccccc2)c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H18N4O/c27-22(19-7-6-10-21(15-19)25-12-4-5-13-25)24-23-16-18-11-14-26(17-18)20-8-2-1-3-9-20/h1-17H,(H,24,27)/b23-16+
InChIKeyRGMNKLIKWGBALC-XQNSMLJCSA-N
XLogP4.03
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.03
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-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854705
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854715
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50855888
N-[(E)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]-3-pyrrol-1-ylbenzamide
CID 126255017
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50853902
3-pyrrol-1-yl-N-[(E)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50858309
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857574
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
4-pyrrol-1-yl-N-[(E)-[3-[2-[2-(4-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]phenyl]methylideneamino]benzamide
CID 172933397

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide (CID 50854816) is N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide is O=C(N/N=C/c1ccn(-c2ccccc2)c1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
The InChIKey is RGMNKLIKWGBALC-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(19-7-6-10-21(15-19)25-12-4-5-13-25)24-23-16-18-11-14-26(17-18)20-8-2-1-3-9-20/h1-17H,(H,24,27)/b23-16+.
What are the key properties of N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide?
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 50854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).