(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide

C13H15N3O3 — CID 44564880

IUPAC(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)ncn2CCCO)NO
InChIInChI=1S/C13H15N3O3/c17-7-1-6-16-9-14-11-8-10(2-4-12(11)16)3-5-13(18)15-19/h2-5,8-9,17,19H,1,6-7H2,(H,15,18)/b5-3+
InChIKeyOUFDENCCUPKHBQ-HWKANZROSA-N
MW261.28 g/mol
LogP0.94
Rot. Bonds5

About (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 44564880) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID44564880
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)ncn2CCCO)NO
InChIInChI=1S/C13H15N3O3/c17-7-1-6-16-9-14-11-8-10(2-4-12(11)16)3-5-13(18)15-19/h2-5,8-9,17,19H,1,6-7H2,(H,15,18)/b5-3+
InChIKeyOUFDENCCUPKHBQ-HWKANZROSA-N
XLogP0.94
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
3-[1-[2-[butyl(2,2,2-trifluoroethyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 76538796
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
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-[(Z)-3-methylsulfanylprop-2-enyl]benzimidazol-5-yl]prop-2-enamide
CID 143019451
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205
N-hydroxy-3-[1-(3-hydroxypropyl)-2-(phenylmethoxymethyl)benzimidazol-5-yl]prop-2-enamide
CID 72757507
(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 87923049
3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
CID 72969789
(E)-3-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
CID 177379683
(E)-3-[1-[[butyl(2,2,2-trifluoroethyl)amino]methyliodanuidyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 163940835
(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide (CID 44564880) is (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)ncn2CCCO)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is OUFDENCCUPKHBQ-HWKANZROSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-7-1-6-16-9-14-11-8-10(2-4-12(11)16)3-5-13(18)15-19/h2-5,8-9,17,19H,1,6-7H2,(H,15,18)/b5-3+.
What are the key properties of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 261.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 44564880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).