N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide

C28H31N3O5 — CID 11420425

IUPACN-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide
SMILESCOc1cc(Cn2c(CCc3ccccc3)nc3cc(CCC(=O)NO)ccc32)cc(OC)c1OC
InChIInChI=1S/C28H31N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,12,15-17,33H,10-11,13-14,18H2,1-3H3,(H,30,32)
InChIKeyPUOYVRKIQWZKMS-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.33
Rot. Bonds11

About N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide

N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide (PubChem CID 11420425) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide
PubChem CID11420425
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide
SMILESCOc1cc(Cn2c(CCc3ccccc3)nc3cc(CCC(=O)NO)ccc32)cc(OC)c1OC
InChIInChI=1S/C28H31N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,12,15-17,33H,10-11,13-14,18H2,1-3H3,(H,30,32)
InChIKeyPUOYVRKIQWZKMS-UHFFFAOYSA-N
XLogP4.33
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide (CID 11420425) is N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide is COc1cc(Cn2c(CCc3ccccc3)nc3cc(CCC(=O)NO)ccc32)cc(OC)c1OC.
What is the InChIKey of N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The InChIKey is PUOYVRKIQWZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,12,15-17,33H,10-11,13-14,18H2,1-3H3,(H,30,32).
What are the key properties of N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide?
N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide has a molecular weight of 489.57 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-(2-phenylethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 11420425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).