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

C23H15N5O5S — CID 52938853

IUPACN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2c1
InChIInChI=1S/C23H15N5O5S/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)
InChIKeyPHXFPHWLKFSKSV-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.13
Rot. Bonds4

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

N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 52938853) has the molecular formula C23H15N5O5S and a molecular weight of 473.47 g/mol. Its IUPAC name is N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide
PubChem CID52938853
Molecular FormulaC23H15N5O5S
Molecular Weight473.47 g/mol
Exact Mass473.08
IUPAC NameN'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2c1
InChIInChI=1S/C23H15N5O5S/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)
InChIKeyPHXFPHWLKFSKSV-UHFFFAOYSA-N
XLogP4.13
TPSA150.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.13
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

N-(3-methylphenyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 135391701
N-(3-chloro-4-methoxyphenyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 135391803
5-chloro-6-fluoro-2-(5-nitrothiophen-2-yl)-1H-benzimidazole
CID 167958019
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
2-(5-nitrothiophen-3-yl)-3H-benzimidazole-5-carboxylic acid
CID 22096794
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909
N-hydroxy-2-[5-(methoxyamino)thiophen-2-yl]-3H-benzimidazole-5-carboxamide
CID 146582273
2-(2,6-dinitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 87487997
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527226
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide (CID 52938853) is N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2c1.
What is the InChIKey of N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is PHXFPHWLKFSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O5S/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-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide?
N'-(3-hydroxynaphthalene-2-carbonyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 473.47 g/mol, XLogP of 4.13, 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-nitrothiophen-2-yl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 52938853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).