2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide

C18H19N3O2 — CID 122690183

IUPAC2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(2,3)13-7-4-11(5-8-13)16-19-14-9-6-12(17(22)21-23)10-15(14)20-16/h4-10,23H,1-3H3,(H,19,20)(H,21,22)
InChIKeyMKVPVGHBSKZVON-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide

2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide (PubChem CID 122690183) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
PubChem CID122690183
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(2,3)13-7-4-11(5-8-13)16-19-14-9-6-12(17(22)21-23)10-15(14)20-16/h4-10,23H,1-3H3,(H,19,20)(H,21,22)
InChIKeyMKVPVGHBSKZVON-UHFFFAOYSA-N
XLogP3.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.65
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-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
2-(4-bromophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91673674
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide (CID 122690183) is 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide is CC(C)(C)c1ccc(-c2nc3ccc(C(=O)NO)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide?
The InChIKey is MKVPVGHBSKZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2,3)13-7-4-11(5-8-13)16-19-14-9-6-12(17(22)21-23)10-15(14)20-16/h4-10,23H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide?
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).