2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide

C24H18ClN5O4 — CID 166593558

IUPAC2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H18ClN5O4/c1-33-20-10-13(23-26-17-4-2-3-5-18(17)27-23)6-9-19(20)34-12-21(31)29-30-22-15-11-14(25)7-8-16(15)28-24(22)32/h2-11,28,32H,12H2,1H3,(H,26,27)/b30-29+
InChIKeyQQLSUNKRELWHGV-QVIHXGFCSA-N
MW475.89 g/mol
LogP5.77
Rot. Bonds6

About 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 166593558) has the molecular formula C24H18ClN5O4 and a molecular weight of 475.89 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID166593558
Molecular FormulaC24H18ClN5O4
Molecular Weight475.89 g/mol
Exact Mass475.10
IUPAC Name2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H18ClN5O4/c1-33-20-10-13(23-26-17-4-2-3-5-18(17)27-23)6-9-19(20)34-12-21(31)29-30-22-15-11-14(25)7-8-16(15)28-24(22)32/h2-11,28,32H,12H2,1H3,(H,26,27)/b30-29+
InChIKeyQQLSUNKRELWHGV-QVIHXGFCSA-N
XLogP5.77
TPSA124.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 172646016
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-3H-benzimidazole-5-carboxamide
CID 172994435
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 17093159
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 166593558) is 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide is COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is QQLSUNKRELWHGV-QVIHXGFCSA-N. The full InChI is InChI=1S/C24H18ClN5O4/c1-33-20-10-13(23-26-17-4-2-3-5-18(17)27-23)6-9-19(20)34-12-21(31)29-30-22-15-11-14(25)7-8-16(15)28-24(22)32/h2-11,28,32H,12H2,1H3,(H,26,27)/b30-29+.
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 475.89 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 166593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).