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

C23H15N5O6 — CID 53321121

IUPACN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1
InChIInChI=1S/C23H15N5O6/c29-18-11-13-4-2-1-3-12(13)9-15(18)23(31)27-26-22(30)14-5-6-16-17(10-14)25-21(24-16)19-7-8-20(34-19)28(32)33/h1-11,29H,(H,24,25)(H,26,30)(H,27,31)
InChIKeyPQJILTUZMJKAGC-UHFFFAOYSA-N
MW457.40 g/mol
LogP3.66
Rot. Bonds4

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

N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 53321121) has the molecular formula C23H15N5O6 and a molecular weight of 457.40 g/mol. Its IUPAC name is N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
PubChem CID53321121
Molecular FormulaC23H15N5O6
Molecular Weight457.40 g/mol
Exact Mass457.10
IUPAC NameN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1
InChIInChI=1S/C23H15N5O6/c29-18-11-13-4-2-1-3-12(13)9-15(18)23(31)27-26-22(30)14-5-6-16-17(10-14)25-21(24-16)19-7-8-20(34-19)28(32)33/h1-11,29H,(H,24,25)(H,26,30)(H,27,31)
InChIKeyPQJILTUZMJKAGC-UHFFFAOYSA-N
XLogP3.66
TPSA163.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 53.66
H-Bond Donors ≤ 54
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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Related Compounds

4-(5-Nitrofuran-2-yl)-10-oxa-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene
CID 46225706
N'-(3,4-dimethoxybenzoyl)-2-(5-nitro-2-furyl)-1H-benzimidazole-5-carbohydrazide
CID 53326764
2-[5-(4-carbamimidoyl-2-hydroxyphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 164620111
N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitro-2-thienyl)-1H-benzimidazole-5-carbohydrazide
CID 52938853
N'-benzoyl-2-(5-nitro-2-furyl)-1H-benzimidazole-5-carbohydrazide
CID 53319829
2-(5-nitro-2-furyl)-N'-(3-phenoxybenzoyl)-1H-benzimidazole-5-carbohydrazide
CID 53319830
N'-(3-methoxybenzoyl)-2-(5-nitro-2-furyl)-1H-benzimidazole-5-carbohydrazide
CID 53322958
N-(3,4-dimethylphenyl)-2-(5-nitrofuran-2-yl)-1h-benzo[d]imidazole-5-carboxamide
CID 135391775
9-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 22566654
2-[5-(4-tert-butylphenyl)furan-2-yl]-9-hydroxy-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 10224313
9-hydroxy-2-[5-(3-propan-2-ylphenyl)furan-2-yl]-3H-benzo[e]benzimidazole-7-carboxylic acid
CID 10273095
2-[5-(3,4-dimethylphenyl)-furan-2-yl]-9-hydroxy-3H-naphtho[1,2-d]imidazole-7-carboxylic Acid
CID 22566656

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide (CID 53321121) is N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1.
What is the InChIKey of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is PQJILTUZMJKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O6/c29-18-11-13-4-2-1-3-12(13)9-15(18)23(31)27-26-22(30)14-5-6-16-17(10-14)25-21(24-16)19-7-8-20(34-19)28(32)33/h1-11,29H,(H,24,25)(H,26,30)(H,27,31).
What are the key properties of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide?
N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 457.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrofuran-2-yl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 53321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).