N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide

C19H13N5O5 — CID 53319829

IUPACN'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C19H13N5O5/c25-18(11-4-2-1-3-5-11)22-23-19(26)12-6-7-13-14(10-12)21-17(20-13)15-8-9-16(29-15)24(27)28/h1-10H,(H,20,21)(H,22,25)(H,23,26)
InChIKeyGSFNBCMYHPCAEB-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.81
Rot. Bonds4

About N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide

N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 53319829) has the molecular formula C19H13N5O5 and a molecular weight of 391.34 g/mol. Its IUPAC name is N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
PubChem CID53319829
Molecular FormulaC19H13N5O5
Molecular Weight391.34 g/mol
Exact Mass391.09
IUPAC NameN'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C19H13N5O5/c25-18(11-4-2-1-3-5-11)22-23-19(26)12-6-7-13-14(10-12)21-17(20-13)15-8-9-16(29-15)24(27)28/h1-10H,(H,20,21)(H,22,25)(H,23,26)
InChIKeyGSFNBCMYHPCAEB-UHFFFAOYSA-N
XLogP2.81
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_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 N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide (CID 53319829) is N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide is O=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is GSFNBCMYHPCAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O5/c25-18(11-4-2-1-3-5-11)22-23-19(26)12-6-7-13-14(10-12)21-17(20-13)15-8-9-16(29-15)24(27)28/h1-10H,(H,20,21)(H,22,25)(H,23,26).
What are the key properties of N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 391.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 53319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).