N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

C18H13N3O2 — CID 122690256

IUPACN-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C18H13N3O2/c22-18(21-23)14-7-8-15-16(10-14)20-17(19-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,23H,(H,19,20)(H,21,22)
InChIKeyMJZUZWBVHVMURH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.50
Rot. Bonds2

About N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 122690256) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID122690256
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C18H13N3O2/c22-18(21-23)14-7-8-15-16(10-14)20-17(19-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,23H,(H,19,20)(H,21,22)
InChIKeyMJZUZWBVHVMURH-UHFFFAOYSA-N
XLogP3.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 11857992
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-(4-bromophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91673674
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (CID 122690256) is N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1.
What is the InChIKey of N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is MJZUZWBVHVMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(21-23)14-7-8-15-16(10-14)20-17(19-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,23H,(H,19,20)(H,21,22).
What are the key properties of N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).