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

C23H17N5O2 — CID 172653603

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C23H17N5O2/c29-20(26-27-21-16-10-4-5-11-17(16)25-23(21)30)14-28-19-13-7-6-12-18(19)24-22(28)15-8-2-1-3-9-15/h1-13,25,30H,14H2/b27-26+
InChIKeyZMFKZVDRCVHWGW-CYYJNZCTSA-N
MW395.42 g/mol
LogP5.20
Rot. Bonds4

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 172653603) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID172653603
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C23H17N5O2/c29-20(26-27-21-16-10-4-5-11-17(16)25-23(21)30)14-28-19-13-7-6-12-18(19)24-22(28)15-8-2-1-3-9-15/h1-13,25,30H,14H2/b27-26+
InChIKeyZMFKZVDRCVHWGW-CYYJNZCTSA-N
XLogP5.20
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.20
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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 172653644
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 172653609
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135816010
N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135982614
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
CID 3070816
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ylacetamide;hydrochloride
CID 135770325
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1193632
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 878835

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 172653603) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is ZMFKZVDRCVHWGW-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-20(26-27-21-16-10-4-5-11-17(16)25-23(21)30)14-28-19-13-7-6-12-18(19)24-22(28)15-8-2-1-3-9-15/h1-13,25,30H,14H2/b27-26+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 172653603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).