(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide

C22H25N3O3 — CID 11188147

IUPAC(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
SMILESCC(Cc1nc2cc(/C=C/C(=O)NO)ccc2n1CCCO)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+
InChIKeyIDJHTRCRTCGYIP-PKNBQFBNSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds8

About (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11188147) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID11188147
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
SMILESCC(Cc1nc2cc(/C=C/C(=O)NO)ccc2n1CCCO)c1ccccc1
InChIInChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+
InChIKeyIDJHTRCRTCGYIP-PKNBQFBNSA-N
XLogP3.28
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide (CID 11188147) is (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide is CC(Cc1nc2cc(/C=C/C(=O)NO)ccc2n1CCCO)c1ccccc1.
What is the InChIKey of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is IDJHTRCRTCGYIP-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+.
What are the key properties of (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-phenylpropyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11188147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).