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

C25H17N5O6 — CID 53319830

IUPAC2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H17N5O6/c31-24(15-5-4-8-18(13-15)35-17-6-2-1-3-7-17)28-29-25(32)16-9-10-19-20(14-16)27-23(26-19)21-11-12-22(36-21)30(33)34/h1-14H,(H,26,27)(H,28,31)(H,29,32)
InChIKeyGMDFIGRFPCHAQH-UHFFFAOYSA-N
MW483.44 g/mol
LogP4.60
Rot. Bonds6

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

2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 53319830) has the molecular formula C25H17N5O6 and a molecular weight of 483.44 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide
PubChem CID53319830
Molecular FormulaC25H17N5O6
Molecular Weight483.44 g/mol
Exact Mass483.12
IUPAC Name2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C25H17N5O6/c31-24(15-5-4-8-18(13-15)35-17-6-2-1-3-7-17)28-29-25(32)16-9-10-19-20(14-16)27-23(26-19)21-11-12-22(36-21)30(33)34/h1-14H,(H,26,27)(H,28,31)(H,29,32)
InChIKeyGMDFIGRFPCHAQH-UHFFFAOYSA-N
XLogP4.60
TPSA152.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide (CID 53319830) is 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide is O=C(NNC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is GMDFIGRFPCHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O6/c31-24(15-5-4-8-18(13-15)35-17-6-2-1-3-7-17)28-29-25(32)16-9-10-19-20(14-16)27-23(26-19)21-11-12-22(36-21)30(33)34/h1-14H,(H,26,27)(H,28,31)(H,29,32).
What are the key properties of 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide?
2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 483.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-N'-(3-phenoxybenzoyl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 53319830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).