2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide

C20H17N5O3 — CID 127044979

IUPAC2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide
SMILESCc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N5O3/c1-12-22-16-8-4-5-9-17(16)25(12)11-18(26)23-24-20(28)19(27)14-10-21-15-7-3-2-6-13(14)15/h2-10,21H,11H2,1H3,(H,23,26)(H,24,28)
InChIKeyAGSFSPYGUBKJPY-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.86
Rot. Bonds4

About 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide

2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide (PubChem CID 127044979) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide
PubChem CID127044979
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide
SMILESCc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N5O3/c1-12-22-16-8-4-5-9-17(16)25(12)11-18(26)23-24-20(28)19(27)14-10-21-15-7-3-2-6-13(14)15/h2-10,21H,11H2,1H3,(H,23,26)(H,24,28)
InChIKeyAGSFSPYGUBKJPY-UHFFFAOYSA-N
XLogP1.86
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide?
The IUPAC name of 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide (CID 127044979) is 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide is Cc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide?
The InChIKey is AGSFSPYGUBKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-22-16-8-4-5-9-17(16)25(12)11-18(26)23-24-20(28)19(27)14-10-21-15-7-3-2-6-13(14)15/h2-10,21H,11H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide?
2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide has a molecular weight of 375.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-oxoacetohydrazide is sourced from PubChem (CID 127044979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).