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

C23H26N4O3 — CID 58613625

IUPAC(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1nc2ccccc2[nH]1)NO
InChIInChI=1S/C23H26N4O3/c28-14-13-27(12-11-22-24-19-3-1-2-4-20(19)25-22)21-9-7-17-15-16(5-8-18(17)21)6-10-23(29)26-30/h1-6,8,10,15,21,28,30H,7,9,11-14H2,(H,24,25)(H,26,29)/b10-6+
InChIKeyNVPNPVUDHMWCHF-UXBLZVDNSA-N
MW406.49 g/mol
LogP2.61
Rot. Bonds8

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

(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 58613625) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID58613625
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1nc2ccccc2[nH]1)NO
InChIInChI=1S/C23H26N4O3/c28-14-13-27(12-11-22-24-19-3-1-2-4-20(19)25-22)21-9-7-17-15-16(5-8-18(17)21)6-10-23(29)26-30/h1-6,8,10,15,21,28,30H,7,9,11-14H2,(H,24,25)(H,26,29)/b10-6+
InChIKeyNVPNPVUDHMWCHF-UXBLZVDNSA-N
XLogP2.61
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.61
H-Bond Donors ≤ 54
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

N-hydroxy-3-[(1S)-1-[2-hydroxyethyl-[2-(2-methylphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 173194718
(E)-3-[1-[2-(4-fluorophenyl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614328
(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 87923049
(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
N-hydroxy-3-[1-[2-(1H-indol-2-yl)ethyl-(1H-pyrrol-2-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76837918
3-[1-[2-(2-chlorophenyl)ethyl-(3-hydroxypropyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76837994
(E)-N-hydroxy-3-[1-[2-(2-hydroxyethoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614458
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
3-[(1S)-1-[2-(2,5-dimethoxyphenyl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 173194731
N-hydroxy-3-[1-[2-hydroxyethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838654
(E)-N-hydroxy-3-[(1R)-1-[2-hydroxyethyl-[2-(6-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922978
N-hydroxy-3-[(1S)-1-[3-hydroxypropyl-[2-(4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 90969801

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (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) is (E)-3-[1-[2-(1H-benzimidazol-2-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-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(1H-benzimidazol-2-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)CCc1nc2ccccc2[nH]1)NO.
What is the InChIKey of (E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is NVPNPVUDHMWCHF-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-14-13-27(12-11-22-24-19-3-1-2-4-20(19)25-22)21-9-7-17-15-16(5-8-18(17)21)6-10-23(29)26-30/h1-6,8,10,15,21,28,30H,7,9,11-14H2,(H,24,25)(H,26,29)/b10-6+.
What are the key properties of (E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(1H-benzimidazol-2-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 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 58613625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).