2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide

C18H12ClN3O3 — CID 122690364

IUPAC2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2c1
InChIInChI=1S/C18H12ClN3O3/c19-12-3-1-2-10(8-12)15-6-7-16(25-15)17-20-13-5-4-11(18(23)22-24)9-14(13)21-17/h1-9,24H,(H,20,21)(H,22,23)
InChIKeyZNHQJHKSPQJNKJ-UHFFFAOYSA-N
MW353.77 g/mol
LogP4.26
Rot. Bonds3

About 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide

2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide (PubChem CID 122690364) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
PubChem CID122690364
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2c1
InChIInChI=1S/C18H12ClN3O3/c19-12-3-1-2-10(8-12)15-6-7-16(25-15)17-20-13-5-4-11(18(23)22-24)9-14(13)21-17/h1-9,24H,(H,20,21)(H,22,23)
InChIKeyZNHQJHKSPQJNKJ-UHFFFAOYSA-N
XLogP4.26
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
6-chloro-2-[5-(3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674034
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
6-chloro-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674039
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 3114182
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide (CID 122690364) is 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The InChIKey is ZNHQJHKSPQJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-12-3-1-2-10(8-12)15-6-7-16(25-15)17-20-13-5-4-11(18(23)22-24)9-14(13)21-17/h1-9,24H,(H,20,21)(H,22,23).
What are the key properties of 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).