3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide

C26H41N5O3 — CID 87639470

IUPAC3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
SMILESCN(C)Cc1ccc2nc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C3CCCC3)n(C)c2c1
InChIInChI=1S/C26H41N5O3/c1-26(2,14-24-28-22-11-10-19(15-29(3)4)12-23(22)30(24)5)17-27-25(33)13-21(16-31(34)18-32)20-8-6-7-9-20/h10-12,18,20-21,34H,6-9,13-17H2,1-5H3,(H,27,33)
InChIKeyBSTNXMMFZGQZDO-UHFFFAOYSA-N
MW471.65 g/mol
LogP3.36
Rot. Bonds12

About 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide

3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide (PubChem CID 87639470) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
PubChem CID87639470
Molecular FormulaC26H41N5O3
Molecular Weight471.65 g/mol
Exact Mass471.32
IUPAC Name3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide
SMILESCN(C)Cc1ccc2nc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C3CCCC3)n(C)c2c1
InChIInChI=1S/C26H41N5O3/c1-26(2,14-24-28-22-11-10-19(15-29(3)4)12-23(22)30(24)5)17-27-25(33)13-21(16-31(34)18-32)20-8-6-7-9-20/h10-12,18,20-21,34H,6-9,13-17H2,1-5H3,(H,27,33)
InChIKeyBSTNXMMFZGQZDO-UHFFFAOYSA-N
XLogP3.36
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide (CID 87639470) is 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide is CN(C)Cc1ccc2nc(CC(C)(C)CNC(=O)CC(CN(O)C=O)C3CCCC3)n(C)c2c1.
What is the InChIKey of 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
The InChIKey is BSTNXMMFZGQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O3/c1-26(2,14-24-28-22-11-10-19(15-29(3)4)12-23(22)30(24)5)17-27-25(33)13-21(16-31(34)18-32)20-8-6-7-9-20/h10-12,18,20-21,34H,6-9,13-17H2,1-5H3,(H,27,33).
What are the key properties of 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide?
3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide has a molecular weight of 471.65 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[6-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-2,2-dimethylpropyl]-4-[formyl(hydroxy)amino]butanamide is sourced from PubChem (CID 87639470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).