N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide

C24H28N4O3 — CID 151666578

IUPACN-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)ncn2C(CCN1CCOCC1)Cc1ccccc1)NO
InChIInChI=1S/C24H28N4O3/c29-24(26-30)9-7-20-6-8-23-22(17-20)25-18-28(23)21(16-19-4-2-1-3-5-19)10-11-27-12-14-31-15-13-27/h1-9,17-18,21,30H,10-16H2,(H,26,29)
InChIKeyQXQRRAKZLWFUJD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.06
Rot. Bonds8

About N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide

N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 151666578) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide
PubChem CID151666578
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)ncn2C(CCN1CCOCC1)Cc1ccccc1)NO
InChIInChI=1S/C24H28N4O3/c29-24(26-30)9-7-20-6-8-23-22(17-20)25-18-28(23)21(16-19-4-2-1-3-5-19)10-11-27-12-14-31-15-13-27/h1-9,17-18,21,30H,10-16H2,(H,26,29)
InChIKeyQXQRRAKZLWFUJD-UHFFFAOYSA-N
XLogP3.06
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
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

(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]prop-2-enamide;hydrochloride
CID 44564678
(E)-3-[2-benzyl-5-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-N-hydroxyprop-2-enamide
CID 141259100
(E)-N-hydroxy-3-[3-[(E)-2-morpholin-4-ylethoxyiminomethyl]phenyl]prop-2-enamide
CID 44592024
(E)-3-[2-benzyl-5-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 141259099
(E)-N-hydroxy-3-[3-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 86761195
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11452842
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
CID 44564880
(E)-N-hydroxy-3-(2-phenylmethoxy-1-pyrrolidin-1-ylbenzimidazol-5-yl)prop-2-enamide
CID 118116502
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(2-morpholin-4-ylethyl)carbamoyl]benzamide
CID 73096534
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 72772160

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide (CID 151666578) is N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide is O=C(C=Cc1ccc2c(c1)ncn2C(CCN1CCOCC1)Cc1ccccc1)NO.
What is the InChIKey of N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is QXQRRAKZLWFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24(26-30)9-7-20-6-8-23-22(17-20)25-18-28(23)21(16-19-4-2-1-3-5-19)10-11-27-12-14-31-15-13-27/h1-9,17-18,21,30H,10-16H2,(H,26,29).
What are the key properties of N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide?
N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-(4-morpholin-4-yl-1-phenylbutan-2-yl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 151666578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).