(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

C26H26N4O2 — CID 142943993

IUPAC(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
SMILESC/C=C\c1[nH]cc(CCn2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)c1C
InChIInChI=1S/C26H26N4O2/c1-3-7-22-18(2)21(17-27-22)14-15-30-24-11-5-4-10-23(24)28-26(30)20-9-6-8-19(16-20)12-13-25(31)29-32/h3-13,16-17,27,32H,14-15H2,1-2H3,(H,29,31)/b7-3-,13-12+
InChIKeyBKKGWBDABSLFPS-ZUBOSIHGSA-N
MW426.52 g/mol
LogP5.13
Rot. Bonds7

About (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

(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 (PubChem CID 142943993) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142943993
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(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
SMILESC/C=C\c1[nH]cc(CCn2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)c1C
InChIInChI=1S/C26H26N4O2/c1-3-7-22-18(2)21(17-27-22)14-15-30-24-11-5-4-10-23(24)28-26(30)20-9-6-8-19(16-20)12-13-25(31)29-32/h3-13,16-17,27,32H,14-15H2,1-2H3,(H,29,31)/b7-3-,13-12+
InChIKeyBKKGWBDABSLFPS-ZUBOSIHGSA-N
XLogP5.13
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.13
H-Bond Donors ≤ 53
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)-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 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

(E)-N-hydroxy-3-[3-[1-[2-(1H-indol-3-yl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10070869
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
N-hydroxy-3-[3-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 87855611
(E)-3-[3-[1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-yl]phenyl]-N-methylprop-2-enamide
CID 58787460
(E)-3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10431295
3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 85141126
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10475051
(E)-N-hydroxy-3-[3-[4-methyl-5-phenyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]prop-2-enamide
CID 11212396
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11360420
(E)-3-[3-[1-(4-chlorophenyl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10362929

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C\c1[nH]cc(CCn2c(-c3cccc(/C=C/C(=O)NO)c3)nc3ccccc32)c1C.
What is the InChIKey of (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?
The InChIKey is BKKGWBDABSLFPS-ZUBOSIHGSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-3-7-22-18(2)21(17-27-22)14-15-30-24-11-5-4-10-23(24)28-26(30)20-9-6-8-19(16-20)12-13-25(31)29-32/h3-13,16-17,27,32H,14-15H2,1-2H3,(H,29,31)/b7-3-,13-12+.
What are the key properties of (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?
(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 has a molecular weight of 426.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142943993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).