(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C23H26N4O3 — CID 87923049

IUPAC(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCn1cnc2ccccc21)NO
InChIInChI=1S/C23H26N4O3/c28-14-13-26(11-12-27-16-24-20-3-1-2-4-22(20)27)21-9-7-18-15-17(5-8-19(18)21)6-10-23(29)25-30/h1-6,8,10,15-16,21,28,30H,7,9,11-14H2,(H,25,29)/b10-6+
InChIKeyCSLODIXZJUJCKT-UXBLZVDNSA-N
MW406.49 g/mol
LogP2.54
Rot. Bonds8

About (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 87923049) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID87923049
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCn1cnc2ccccc21)NO
InChIInChI=1S/C23H26N4O3/c28-14-13-26(11-12-27-16-24-20-3-1-2-4-22(20)27)21-9-7-18-15-17(5-8-19(18)21)6-10-23(29)25-30/h1-6,8,10,15-16,21,28,30H,7,9,11-14H2,(H,25,29)/b10-6+
InChIKeyCSLODIXZJUJCKT-UXBLZVDNSA-N
XLogP2.54
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.54
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

3-[1-[2-[1-(2-amino-2-oxoethyl)indol-3-yl]ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838121
(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613625
N-hydroxy-3-[(1S)-1-[2-hydroxyethyl-[2-(2-methylphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 173194718
3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838229
(E)-3-[1-[2-(4-fluorophenyl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614328
3-[1-[2-(2-chlorophenyl)ethyl-(3-hydroxypropyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76837994
N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838014
(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613911
3-[(1S)-1-[2-(2,5-dimethoxyphenyl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 173194731
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
CID 44564880
(E)-N-hydroxy-3-[1-[3-hydroxypropyl-[2-(3-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614521
(E)-N-hydroxy-3-[1-[2-hydroxyethyl-[2-(5-methoxy-1H-indol-2-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614122

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 87923049) is (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCn1cnc2ccccc21)NO.
What is the InChIKey of (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is CSLODIXZJUJCKT-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-14-13-26(11-12-27-16-24-20-3-1-2-4-22(20)27)21-9-7-18-15-17(5-8-19(18)21)6-10-23(29)25-30/h1-6,8,10,15-16,21,28,30H,7,9,11-14H2,(H,25,29)/b10-6+.
What are the key properties of (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 406.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87923049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).