(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide

C24H29N3O2 — CID 58816194

IUPAC(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide
SMILESCC(C)Cn1c(CCCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C24H29N3O2/c1-18(2)17-27-22-14-12-20(13-15-24(28)26-29)16-21(22)25-23(27)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-16,18,29H,6-7,10-11,17H2,1-2H3,(H,26,28)/b15-13+
InChIKeyHLAIMMKZWFHZAQ-FYWRMAATSA-N
MW391.52 g/mol
LogP4.78
Rot. Bonds9

About (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 58816194) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID58816194
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide
SMILESCC(C)Cn1c(CCCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C24H29N3O2/c1-18(2)17-27-22-14-12-20(13-15-24(28)26-29)16-21(22)25-23(27)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-16,18,29H,6-7,10-11,17H2,1-2H3,(H,26,28)/b15-13+
InChIKeyHLAIMMKZWFHZAQ-FYWRMAATSA-N
XLogP4.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705
(E)-3-[1-[2,2-dimethyl-3-(methylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 89061370
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11452842
(E)-3-[1-[3-[ethyl(propyl)amino]propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 143019515
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]prop-2-enamide;hydrochloride
CID 44564678
(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]prop-2-enamide
CID 11750273
N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 72772160
(E)-N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
CID 11235378
N-hydroxy-3-[1-(3-imidazol-1-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
CID 72762799
N-hydroxy-3-[1-(3-hydroxypropyl)-2-(phenylmethoxymethyl)benzimidazol-5-yl]prop-2-enamide
CID 72757507
(E)-3-[2-butyl-1-[3-(propan-2-ylamino)propyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;bis(2,2,2-trifluoroacetic acid)
CID 53364054
N-hydroxy-3-[2-(2-methylpropyl)-1-[2-(propan-2-ylamino)ethyl]benzimidazol-5-yl]prop-2-enamide
CID 73231737

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide (CID 58816194) is (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide is CC(C)Cn1c(CCCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is HLAIMMKZWFHZAQ-FYWRMAATSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)17-27-22-14-12-20(13-15-24(28)26-29)16-21(22)25-23(27)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-16,18,29H,6-7,10-11,17H2,1-2H3,(H,26,28)/b15-13+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 391.52 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-methylpropyl)-2-(4-phenylbutyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 58816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).