3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide

C25H24ClN3O3 — CID 126726290

IUPAC3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C25H24ClN3O3/c1-29-22-16-20(26)11-12-21(22)28-24(29)25(31,18-8-4-3-5-9-18)19-10-6-7-17(15-19)23(30)27-13-14-32-2/h3-12,15-16,31H,13-14H2,1-2H3,(H,27,30)
InChIKeyTVTVOHHLHXPIES-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.89
Rot. Bonds7

About 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide

3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 126726290) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide
PubChem CID126726290
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C25H24ClN3O3/c1-29-22-16-20(26)11-12-21(22)28-24(29)25(31,18-8-4-3-5-9-18)19-10-6-7-17(15-19)23(30)27-13-14-32-2/h3-12,15-16,31H,13-14H2,1-2H3,(H,27,30)
InChIKeyTVTVOHHLHXPIES-UHFFFAOYSA-N
XLogP3.89
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
CID 126726288
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
(6-ethylsulfonyl-1-methylbenzimidazol-2-yl)-diphenylmethanol
CID 126726372
3-(2-aminoethyl)-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
CID 126726413
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[N'-(ethyliminomethyl)carbamimidoyl]-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
CID 144962002
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
CID 131628985

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide (CID 126726290) is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is TVTVOHHLHXPIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-29-22-16-20(26)11-12-21(22)28-24(29)25(31,18-8-4-3-5-9-18)19-10-6-7-17(15-19)23(30)27-13-14-32-2/h3-12,15-16,31H,13-14H2,1-2H3,(H,27,30).
What are the key properties of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide?
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 449.94 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 126726290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).