4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide

C21H24N4O2 — CID 137378369

IUPAC4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1
InChIInChI=1S/C21H24N4O2/c26-20(24-27)16-9-11-17(12-10-16)22-21-23-18-7-3-4-8-19(18)25(21)14-13-15-5-1-2-6-15/h3-4,7-12,15,27H,1-2,5-6,13-14H2,(H,22,23)(H,24,26)
InChIKeySPYJQWGNNZBTIL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.48
Rot. Bonds6

About 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide

4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 137378369) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
PubChem CID137378369
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1
InChIInChI=1S/C21H24N4O2/c26-20(24-27)16-9-11-17(12-10-16)22-21-23-18-7-3-4-8-19(18)25(21)14-13-15-5-1-2-6-15/h3-4,7-12,15,27H,1-2,5-6,13-14H2,(H,22,23)(H,24,26)
InChIKeySPYJQWGNNZBTIL-UHFFFAOYSA-N
XLogP4.48
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone
CID 160773514
4-[(1-cyclobutylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[(1-cyclopentylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide;N-hydroxy-4-[(1-methylbenzimidazol-2-yl)amino]benzamide;N-hydroxy-4-[(1-propan-2-ylbenzimidazol-2-yl)amino]benzamide
CID 158166731
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
4-[[1-(cycloheptylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-2-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-3-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclopentylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide
CID 158875757
N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
CID 91225825
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide (CID 137378369) is 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide is O=C(NO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1.
What is the InChIKey of 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is SPYJQWGNNZBTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(24-27)16-9-11-17(12-10-16)22-21-23-18-7-3-4-8-19(18)25(21)14-13-15-5-1-2-6-15/h3-4,7-12,15,27H,1-2,5-6,13-14H2,(H,22,23)(H,24,26).
What are the key properties of 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 137378369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).