3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide

C25H23N3O4 — CID 17008517

IUPAC3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-31-22-13-12-18(14-23(22)32-2)25(30)26-15-24-27-19-10-6-7-11-20(19)28(24)16-21(29)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,30)
InChIKeyQFVFVGDHFRSFLM-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.87
Rot. Bonds8

About 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide

3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17008517) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17008517
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-31-22-13-12-18(14-23(22)32-2)25(30)26-15-24-27-19-10-6-7-11-20(19)28(24)16-21(29)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,30)
InChIKeyQFVFVGDHFRSFLM-UHFFFAOYSA-N
XLogP3.87
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008409
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008651
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide (CID 17008517) is 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is QFVFVGDHFRSFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-22-13-12-18(14-23(22)32-2)25(30)26-15-24-27-19-10-6-7-11-20(19)28(24)16-21(29)17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,26,30).
What are the key properties of 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide?
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).