(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide

C20H22N4O2 — CID 11024550

IUPAC(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCc1nc2ccccc2n1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C20H22N4O2/c1-15-22-18-4-2-3-5-19(18)24(15)13-12-21-14-17-8-6-16(7-9-17)10-11-20(25)23-26/h2-11,21,26H,12-14H2,1H3,(H,23,25)/b11-10+
InChIKeyILDVDKBLPNWYHI-ZHACJKMWSA-N
MW350.42 g/mol
LogP2.65
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide (PubChem CID 11024550) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID11024550
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide
SMILESCc1nc2ccccc2n1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C20H22N4O2/c1-15-22-18-4-2-3-5-19(18)24(15)13-12-21-14-17-8-6-16(7-9-17)10-11-20(25)23-26/h2-11,21,26H,12-14H2,1H3,(H,23,25)/b11-10+
InChIKeyILDVDKBLPNWYHI-ZHACJKMWSA-N
XLogP2.65
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide (CID 11024550) is (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide is Cc1nc2ccccc2n1CCNCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is ILDVDKBLPNWYHI-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-22-18-4-2-3-5-19(18)24(15)13-12-21-14-17-8-6-16(7-9-17)10-11-20(25)23-26/h2-11,21,26H,12-14H2,1H3,(H,23,25)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 11024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).