3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide

C22H16N4O3 — CID 169024525

IUPAC3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESN#Cc1ccc(COc2ccc(-n3cnc4ccc(C(=O)NO)cc43)cc2)cc1
InChIInChI=1S/C22H16N4O3/c23-12-15-1-3-16(4-2-15)13-29-19-8-6-18(7-9-19)26-14-24-20-10-5-17(11-21(20)26)22(27)25-28/h1-11,14,28H,13H2,(H,25,27)
InChIKeyOBWMINGSGYUKLF-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.60
Rot. Bonds5

About 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide

3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide (PubChem CID 169024525) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
PubChem CID169024525
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESN#Cc1ccc(COc2ccc(-n3cnc4ccc(C(=O)NO)cc43)cc2)cc1
InChIInChI=1S/C22H16N4O3/c23-12-15-1-3-16(4-2-15)13-29-19-8-6-18(7-9-19)26-14-24-20-10-5-17(11-21(20)26)22(27)25-28/h1-11,14,28H,13H2,(H,25,27)
InChIKeyOBWMINGSGYUKLF-UHFFFAOYSA-N
XLogP3.60
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
CID 4792894
N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
CID 169024522
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide?
The IUPAC name of 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide (CID 169024525) is 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide?
The canonical SMILES for 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide is N#Cc1ccc(COc2ccc(-n3cnc4ccc(C(=O)NO)cc43)cc2)cc1.
What is the InChIKey of 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide?
The InChIKey is OBWMINGSGYUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c23-12-15-1-3-16(4-2-15)13-29-19-8-6-18(7-9-19)26-14-24-20-10-5-17(11-21(20)26)22(27)25-28/h1-11,14,28H,13H2,(H,25,27).
What are the key properties of 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide?
3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide is sourced from PubChem (CID 169024525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).