(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide

C19H20N4O3 — CID 122514311

IUPAC(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
SMILESCOCCn1c(Nc2ccccc2/C=C/C(=O)NO)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-26-13-12-23-17-9-5-4-8-16(17)21-19(23)20-15-7-3-2-6-14(15)10-11-18(24)22-25/h2-11,25H,12-13H2,1H3,(H,20,21)(H,22,24)/b11-10+
InChIKeyMWZRUSOGGHYWDX-ZHACJKMWSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds7

About (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 122514311) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
PubChem CID122514311
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
SMILESCOCCn1c(Nc2ccccc2/C=C/C(=O)NO)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-26-13-12-23-17-9-5-4-8-16(17)21-19(23)20-15-7-3-2-6-14(15)10-11-18(24)22-25/h2-11,25H,12-13H2,1H3,(H,20,21)(H,22,24)/b11-10+
InChIKeyMWZRUSOGGHYWDX-ZHACJKMWSA-N
XLogP2.94
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
CID 139368286
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]phenyl]prop-2-enoic acid
CID 122513903
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
(2R,3R)-N-[1-(2-methoxyethyl)benzimidazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586287
2-bromo-1-(2-methoxyethyl)benzimidazole;N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide;methyl 3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzoate
CID 157127485
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 154795635
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10475051
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide (CID 122514311) is (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide is COCCn1c(Nc2ccccc2/C=C/C(=O)NO)nc2ccccc21.
What is the InChIKey of (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is MWZRUSOGGHYWDX-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-13-12-23-17-9-5-4-8-16(17)21-19(23)20-15-7-3-2-6-14(15)10-11-18(24)22-25/h2-11,25H,12-13H2,1H3,(H,20,21)(H,22,24)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 122514311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).