5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide

C20H20BrN3O3 — CID 4503174

IUPAC5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)c1cc(Br)ccc1O)c(O)n2CC(C)C
InChIInChI=1S/C20H20BrN3O3/c1-11(2)10-24-16-6-4-12(3)8-14(16)18(20(24)27)22-23-19(26)15-9-13(21)5-7-17(15)25/h4-9,11,25,27H,10H2,1-3H3/b23-22+
InChIKeyRWXIOKHVDBIQBG-GHVJWSGMSA-N
MW430.30 g/mol
LogP5.70
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide

5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide (PubChem CID 4503174) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide
PubChem CID4503174
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)c1cc(Br)ccc1O)c(O)n2CC(C)C
InChIInChI=1S/C20H20BrN3O3/c1-11(2)10-24-16-6-4-12(3)8-14(16)18(20(24)27)22-23-19(26)15-9-13(21)5-7-17(15)25/h4-9,11,25,27H,10H2,1-3H3/b23-22+
InChIKeyRWXIOKHVDBIQBG-GHVJWSGMSA-N
XLogP5.70
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-hydroxybenzamide
CID 1098357
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
5-bromo-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)imino-2-hydroxybenzamide
CID 135927066
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
CID 4503166
2-(4-chlorophenoxy)-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminoacetamide
CID 4503165
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
CID 3366985
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
CID 1035611
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836
2-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide (CID 4503174) is 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide is Cc1ccc2c(c1)c(/N=N/C(=O)c1cc(Br)ccc1O)c(O)n2CC(C)C.
What is the InChIKey of 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide?
The InChIKey is RWXIOKHVDBIQBG-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-11(2)10-24-16-6-4-12(3)8-14(16)18(20(24)27)22-23-19(26)15-9-13(21)5-7-17(15)25/h4-9,11,25,27H,10H2,1-3H3/b23-22+.
What are the key properties of 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide?
5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide has a molecular weight of 430.30 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 4503174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).