acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide

C24H22N4O3 — CID 135415860

IUPACacetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18N4O.C2H4O2/c23-21(24)15-10-12-16(13-11-15)25-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)26-22(19)27;1-2(3)4/h1-13,26-27H,(H3,23,24);1H3,(H,3,4)/b25-20+;
InChIKeyGCTSIRWRQFLGII-UDLBSFQBSA-N
MW414.47 g/mol
LogP4.42
Rot. Bonds4

About acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide

acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide (PubChem CID 135415860) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide.

Molecular Properties

Compound Nameacetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
PubChem CID135415860
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Nameacetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18N4O.C2H4O2/c23-21(24)15-10-12-16(13-11-15)25-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)26-22(19)27;1-2(3)4/h1-13,26-27H,(H3,23,24);1H3,(H,3,4)/b25-20+;
InChIKeyGCTSIRWRQFLGII-UDLBSFQBSA-N
XLogP4.42
TPSA135.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-6-carboxylic acid
CID 137469705
1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
CID 135423060
4-[[(6-ethoxycarbonyl-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 135837786
methyl 3-[N-(4-fluorophenyl)-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838048
methyl 4-[[(6-amino-2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
CID 135585870
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
CID 135415859
ethyl 2-[[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]sulfonylamino]acetate
CID 135621997
ethyl 3-[N-[4-[[benzyl(ethyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838016
N-ethyl-N-[2-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]-N-methylsulfonylanilino]ethyl]acetamide
CID 135621961
N-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 135622032
ethyl 4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]benzoate
CID 135585807

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The IUPAC name of acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide (CID 135415860) is acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide.
What is the SMILES notation for acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The canonical SMILES for acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide is CC(=O)O.[H]/N=C(\N)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
The InChIKey is GCTSIRWRQFLGII-UDLBSFQBSA-N. The full InChI is InChI=1S/C22H18N4O.C2H4O2/c23-21(24)15-10-12-16(13-11-15)25-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)26-22(19)27;1-2(3)4/h1-13,26-27H,(H3,23,24);1H3,(H,3,4)/b25-20+;.
What are the key properties of acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide?
acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide has a molecular weight of 414.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide is sourced from PubChem (CID 135415860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).