3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide

C39H58N8O4 — CID 158610730

IUPAC3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide
SMILESCCCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C.CCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C
InChIInChI=1S/C20H30N4O2.C19H28N4O2/c1-4-5-6-11-23(16(2)3)12-13-24-15-21-18-14-17(7-9-19(18)24)8-10-20(25)22-26;1-4-5-10-22(15(2)3)11-12-23-14-20-17-13-16(6-8-18(17)23)7-9-19(24)21-25/h7-10,14-16,26H,4-6,11-13H2,1-3H3,(H,22,25);6-9,13-15,25H,4-5,10-12H2,1-3H3,(H,21,24)
InChIKeyHWUNRGMIHUTCGG-UHFFFAOYSA-N
MW702.95 g/mol
LogP6.52
Rot. Bonds19

About 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide

3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide (PubChem CID 158610730) has the molecular formula C39H58N8O4 and a molecular weight of 702.95 g/mol. Its IUPAC name is 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide
PubChem CID158610730
Molecular FormulaC39H58N8O4
Molecular Weight702.95 g/mol
Exact Mass702.46
IUPAC Name3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide
SMILESCCCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C.CCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C
InChIInChI=1S/C20H30N4O2.C19H28N4O2/c1-4-5-6-11-23(16(2)3)12-13-24-15-21-18-14-17(7-9-19(18)24)8-10-20(25)22-26;1-4-5-10-22(15(2)3)11-12-23-14-20-17-13-16(6-8-18(17)23)7-9-19(24)21-25/h7-10,14-16,26H,4-6,11-13H2,1-3H3,(H,22,25);6-9,13-15,25H,4-5,10-12H2,1-3H3,(H,21,24)
InChIKeyHWUNRGMIHUTCGG-UHFFFAOYSA-N
XLogP6.52
TPSA140.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 56.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-[butyl(2,2,2-trifluoroethyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 76538796
(3E)-N-methyl-4-[1-[2-[propan-2-yl(propyl)amino]ethyl]benzimidazol-5-yl]buta-1,3-dien-2-amine
CID 143424367
3-[1-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 76610810
(E)-3-[1-[2-[2,2-dimethylpropyl(propyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 57429931
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
CID 44564880
(E)-3-[1-[[butyl(2,2,2-trifluoroethyl)amino]methyliodanuidyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 163940835
3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
CID 72969789
3-[2-(5-cyanopentyl)-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 76610792
(E)-3-[1-[2-[bis(3,3-dimethylbutyl)amino]ethyl]-2-(2,2-dimethylpropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 57429930
(E)-3-[1-[3-[ethyl(propyl)amino]propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 143019515
(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 87923049
(E)-3-[2-butyl-1-[3-(propan-2-ylamino)propyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;bis(2,2,2-trifluoroacetic acid)
CID 53364054

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide (CID 158610730) is 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide is CCCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C.CCCCN(CCn1cnc2cc(C=CC(=O)NO)ccc21)C(C)C.
What is the InChIKey of 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide?
The InChIKey is HWUNRGMIHUTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.C19H28N4O2/c1-4-5-6-11-23(16(2)3)12-13-24-15-21-18-14-17(7-9-19(18)24)8-10-20(25)22-26;1-4-5-10-22(15(2)3)11-12-23-14-20-17-13-16(6-8-18(17)23)7-9-19(24)21-25/h7-10,14-16,26H,4-6,11-13H2,1-3H3,(H,22,25);6-9,13-15,25H,4-5,10-12H2,1-3H3,(H,21,24).
What are the key properties of 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide?
3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide has a molecular weight of 702.95 g/mol, XLogP of 6.52, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[butyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;N-hydroxy-3-[1-[2-[pentyl(propan-2-yl)amino]ethyl]benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 158610730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).