N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide

C23H16BrN5O2 — CID 172653644

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H16BrN5O2/c24-15-10-11-17-16(12-15)21(23(31)26-17)28-27-20(30)13-29-19-9-5-4-8-18(19)25-22(29)14-6-2-1-3-7-14/h1-12,26,31H,13H2/b28-27+
InChIKeyRWVPMKJBHGLMIE-BYYHNAKLSA-N
MW474.32 g/mol
LogP5.96
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 172653644) has the molecular formula C23H16BrN5O2 and a molecular weight of 474.32 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID172653644
Molecular FormulaC23H16BrN5O2
Molecular Weight474.32 g/mol
Exact Mass473.05
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H16BrN5O2/c24-15-10-11-17-16(12-15)21(23(31)26-17)28-27-20(30)13-29-19-9-5-4-8-18(19)25-22(29)14-6-2-1-3-7-14/h1-12,26,31H,13H2/b28-27+
InChIKeyRWVPMKJBHGLMIE-BYYHNAKLSA-N
XLogP5.96
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 55.96
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'}

Analyze N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide 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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135816010
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 172653603
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 172653609
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135771220
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135982614
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 171975472
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083434
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 172653644) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is RWVPMKJBHGLMIE-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H16BrN5O2/c24-15-10-11-17-16(12-15)21(23(31)26-17)28-27-20(30)13-29-19-9-5-4-8-18(19)25-22(29)14-6-2-1-3-7-14/h1-12,26,31H,13H2/b28-27+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 474.32 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 172653644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).