(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

C23H18ClN3O2 — CID 10408900

IUPAC(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)c1)NO
InChIInChI=1S/C23H18ClN3O2/c24-19-8-4-6-17(14-19)15-27-21-10-2-1-9-20(21)25-23(27)18-7-3-5-16(13-18)11-12-22(28)26-29/h1-14,29H,15H2,(H,26,28)/b12-11+
InChIKeyXGEXXGHDZLYHHT-VAWYXSNFSA-N
MW403.87 g/mol
LogP4.92
Rot. Bonds5

About (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 10408900) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID10408900
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)c1)NO
InChIInChI=1S/C23H18ClN3O2/c24-19-8-4-6-17(14-19)15-27-21-10-2-1-9-20(21)25-23(27)18-7-3-5-16(13-18)11-12-22(28)26-29/h1-14,29H,15H2,(H,26,28)/b12-11+
InChIKeyXGEXXGHDZLYHHT-VAWYXSNFSA-N
XLogP4.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-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-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 85141126
(E)-3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10431295
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 91050731
(E)-N-hydroxy-3-[3-[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10321659
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
(E)-3-[3-[1-(4-chlorophenyl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10362929
N-hydroxy-3-[3-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 87855611
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10475051
(E)-N-hydroxy-3-[3-[1-[2-(1H-indol-3-yl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10070869
(E)-N-hydroxy-3-[3-[4-methyl-5-phenyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]prop-2-enamide
CID 11212396
(E)-N-hydroxy-3-[3-[1-[2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 142943993

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 10408900) is (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)c1)NO.
What is the InChIKey of (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is XGEXXGHDZLYHHT-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-19-8-4-6-17(14-19)15-27-21-10-2-1-9-20(21)25-23(27)18-7-3-5-16(13-18)11-12-22(28)26-29/h1-14,29H,15H2,(H,26,28)/b12-11+.
What are the key properties of (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 403.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10408900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).