5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol

C23H22N4O — CID 175737815

IUPAC5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol
SMILESC/N=C(\c1ccccc1)c1c(O)[nH]c2ccc(NNCc3ccccc3)cc12
InChIInChI=1S/C23H22N4O/c1-24-22(17-10-6-3-7-11-17)21-19-14-18(12-13-20(19)26-23(21)28)27-25-15-16-8-4-2-5-9-16/h2-14,25-28H,15H2,1H3/b24-22+
InChIKeyIOXRDSDJSZQEQA-ZNTNEXAZSA-N
MW370.46 g/mol
LogP4.46
Rot. Bonds6

About 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol

5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol (PubChem CID 175737815) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol
PubChem CID175737815
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol
SMILESC/N=C(\c1ccccc1)c1c(O)[nH]c2ccc(NNCc3ccccc3)cc12
InChIInChI=1S/C23H22N4O/c1-24-22(17-10-6-3-7-11-17)21-19-14-18(12-13-20(19)26-23(21)28)27-25-15-16-8-4-2-5-9-16/h2-14,25-28H,15H2,1H3/b24-22+
InChIKeyIOXRDSDJSZQEQA-ZNTNEXAZSA-N
XLogP4.46
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.46
H-Bond Donors ≤ 54
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

N-[3-[N-[4-(ethylaminomethyl)phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-5-yl]ethanesulfonamide
CID 154649076
3-[N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-C-phenylcarbonimidoyl]-N-benzyl-2-hydroxy-1H-indole-5-carboxamide
CID 137046457
N-[3-[N-[4-[ethylsulfonyl(methyl)amino]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-5-yl]benzenesulfonamide
CID 135696664
N-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 135622191
5,6-diethoxy-3-[N-[4-(methylaminomethyl)phenyl]-C-phenylcarbonimidoyl]-1H-indol-2-ol
CID 135585736
2-(2-bromophenyl)-N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]acetamide
CID 175028284
1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
CID 135423060
N-[2-hydroxy-3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indol-5-yl]methanesulfonamide
CID 135696693
5,6-dimethoxy-3-[C-phenyl-N-[4-(propylaminomethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 135585820
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
CID 135415859
3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-5-sulfonic acid
CID 154432622
N-[2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-5-yl]cyclopropanesulfonamide
CID 135530615

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol?
The IUPAC name of 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol (CID 175737815) is 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol.
What is the SMILES notation for 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol?
The canonical SMILES for 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol is C/N=C(\c1ccccc1)c1c(O)[nH]c2ccc(NNCc3ccccc3)cc12.
What is the InChIKey of 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol?
The InChIKey is IOXRDSDJSZQEQA-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H22N4O/c1-24-22(17-10-6-3-7-11-17)21-19-14-18(12-13-20(19)26-23(21)28)27-25-15-16-8-4-2-5-9-16/h2-14,25-28H,15H2,1H3/b24-22+.
What are the key properties of 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol?
5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol has a molecular weight of 370.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylhydrazinyl)-3-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-2-ol is sourced from PubChem (CID 175737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).