5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide

C20H17N7O — CID 155073571

IUPAC5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide
SMILES[H]/N=C(\c1ccncc1)c1cc2[nH]c(C(=O)NNc3ccccc3)nc2cc1N
InChIInChI=1S/C20H17N7O/c21-15-11-17-16(10-14(15)18(22)12-6-8-23-9-7-12)24-19(25-17)20(28)27-26-13-4-2-1-3-5-13/h1-11,22,26H,21H2,(H,24,25)(H,27,28)/b22-18+
InChIKeyHYWKXGGMEHDYRK-RELWKKBWSA-N
MW371.40 g/mol
LogP2.71
Rot. Bonds5

About 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide

5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide (PubChem CID 155073571) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide.

Molecular Properties

Compound Name5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide
PubChem CID155073571
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide
SMILES[H]/N=C(\c1ccncc1)c1cc2[nH]c(C(=O)NNc3ccccc3)nc2cc1N
InChIInChI=1S/C20H17N7O/c21-15-11-17-16(10-14(15)18(22)12-6-8-23-9-7-12)24-19(25-17)20(28)27-26-13-4-2-1-3-5-13/h1-11,22,26H,21H2,(H,24,25)(H,27,28)/b22-18+
InChIKeyHYWKXGGMEHDYRK-RELWKKBWSA-N
XLogP2.71
TPSA132.57 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide?
The IUPAC name of 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide (CID 155073571) is 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide.
What is the SMILES notation for 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide?
The canonical SMILES for 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide is [H]/N=C(\c1ccncc1)c1cc2[nH]c(C(=O)NNc3ccccc3)nc2cc1N.
What is the InChIKey of 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide?
The InChIKey is HYWKXGGMEHDYRK-RELWKKBWSA-N. The full InChI is InChI=1S/C20H17N7O/c21-15-11-17-16(10-14(15)18(22)12-6-8-23-9-7-12)24-19(25-17)20(28)27-26-13-4-2-1-3-5-13/h1-11,22,26H,21H2,(H,24,25)(H,27,28)/b22-18+.
What are the key properties of 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide?
5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide has a molecular weight of 371.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-phenyl-6-(pyridine-4-carboximidoyl)-1H-benzimidazole-2-carbohydrazide is sourced from PubChem (CID 155073571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).