(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide

C25H26N4 — CID 22388670

IUPAC(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
SMILESCc1ccccc1/C(=N/C(=N/c1ccccc1)N1CCCC1)Nc1ccccc1
InChIInChI=1S/C25H26N4/c1-20-12-8-9-17-23(20)24(26-21-13-4-2-5-14-21)28-25(29-18-10-11-19-29)27-22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H,26,27,28)
InChIKeySLMWJRCKAGFSLD-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.64
Rot. Bonds3

About (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide

(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide (PubChem CID 22388670) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
PubChem CID22388670
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
SMILESCc1ccccc1/C(=N/C(=N/c1ccccc1)N1CCCC1)Nc1ccccc1
InChIInChI=1S/C25H26N4/c1-20-12-8-9-17-23(20)24(26-21-13-4-2-5-14-21)28-25(29-18-10-11-19-29)27-22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H,26,27,28)
InChIKeySLMWJRCKAGFSLD-UHFFFAOYSA-N
XLogP5.64
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-4-oxo-N'-phenylpiperidine-1-carboximidamide
CID 54201843
N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 54284526
N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide
CID 54033319
N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenylazepane-1-carboximidamide
CID 54036187
(NZ)-N-[(2,6-difluorophenyl)-(4-fluoroanilino)methylidene]-N'-phenylazepane-1-carboximidamide
CID 87976890
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
(NE)-N-[(2,6-dimethylphenyl)-[4-(trifluoromethoxy)anilino]methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
CID 22388612
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)oxazinane-2-carboximidamide
CID 22388695
(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 22388606

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide (CID 22388670) is (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide is Cc1ccccc1/C(=N/C(=N/c1ccccc1)N1CCCC1)Nc1ccccc1.
What is the InChIKey of (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide?
The InChIKey is SLMWJRCKAGFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-20-12-8-9-17-23(20)24(26-21-13-4-2-5-14-21)28-25(29-18-10-11-19-29)27-22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H,26,27,28).
What are the key properties of (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide?
(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 22388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).