(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide

C23H22N4O2 — CID 142943984

IUPAC(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3c(n2CCc2ccncc2)=CCCC=3)c1)NO
InChIInChI=1S/C23H22N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h3-11,13-14,16,29H,1-2,12,15H2,(H,26,28)/b9-8+
InChIKeyWRNQLMZISWXQII-CMDGGOBGSA-N
MW386.46 g/mol
LogP2.06
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 142943984) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID142943984
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2nc3c(n2CCc2ccncc2)=CCCC=3)c1)NO
InChIInChI=1S/C23H22N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h3-11,13-14,16,29H,1-2,12,15H2,(H,26,28)/b9-8+
InChIKeyWRNQLMZISWXQII-CMDGGOBGSA-N
XLogP2.06
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
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

(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11360420
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
(E)-N-hydroxy-3-[3-[4-methyl-5-phenyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]prop-2-enamide
CID 11212396
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-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 142943993
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
(E)-3-[3-[1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-yl]phenyl]-N-methylprop-2-enamide
CID 58787460
(E)-N-hydroxy-3-[3-[1-[2-(1H-indol-3-yl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10070869
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide (CID 142943984) is (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(-c2nc3c(n2CCc2ccncc2)=CCCC=3)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is WRNQLMZISWXQII-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(26-29)9-8-18-4-3-5-19(16-18)23-25-20-6-1-2-7-21(20)27(23)15-12-17-10-13-24-14-11-17/h3-11,13-14,16,29H,1-2,12,15H2,(H,26,28)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 142943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).