3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide

C22H18N4O — CID 91146373

IUPAC3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H18N4O/c23-21(24)15-9-6-10-16(13-15)25-20(14-7-2-1-3-8-14)19-17-11-4-5-12-18(17)26-22(19)27/h1-13,19H,(H3,23,24)(H,26,27)/b25-20+
InChIKeyIHPPHRXHFXOQNS-LKUDQCMESA-N
MW354.41 g/mol
LogP3.83
Rot. Bonds4

About 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide

3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide (PubChem CID 91146373) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
PubChem CID91146373
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H18N4O/c23-21(24)15-9-6-10-16(13-15)25-20(14-7-2-1-3-8-14)19-17-11-4-5-12-18(17)26-22(19)27/h1-13,19H,(H3,23,24)(H,26,27)/b25-20+
InChIKeyIHPPHRXHFXOQNS-LKUDQCMESA-N
XLogP3.83
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The IUPAC name of 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide (CID 91146373) is 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide.
What is the SMILES notation for 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The canonical SMILES for 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The InChIKey is IHPPHRXHFXOQNS-LKUDQCMESA-N. The full InChI is InChI=1S/C22H18N4O/c23-21(24)15-9-6-10-16(13-15)25-20(14-7-2-1-3-8-14)19-17-11-4-5-12-18(17)26-22(19)27/h1-13,19H,(H3,23,24)(H,26,27)/b25-20+.
What are the key properties of 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide has a molecular weight of 354.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide is sourced from PubChem (CID 91146373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).