3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide

C29H32N4O5 — CID 17008651

IUPAC3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C29H32N4O5/c1-19(2)33(21-11-7-6-8-12-21)27(34)18-32-23-14-10-9-13-22(23)31-26(32)17-30-29(35)20-15-24(36-3)28(38-5)25(16-20)37-4/h6-16,19H,17-18H2,1-5H3,(H,30,35)
InChIKeyVEMHNWJOJHUBDN-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.43
Rot. Bonds10

About 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008651) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008651
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C29H32N4O5/c1-19(2)33(21-11-7-6-8-12-21)27(34)18-32-23-14-10-9-13-22(23)31-26(32)17-30-29(35)20-15-24(36-3)28(38-5)25(16-20)37-4/h6-16,19H,17-18H2,1-5H3,(H,30,35)
InChIKeyVEMHNWJOJHUBDN-UHFFFAOYSA-N
XLogP4.43
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16984078
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008549
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17008651) is 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide is COc1cc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is VEMHNWJOJHUBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-19(2)33(21-11-7-6-8-12-21)27(34)18-32-23-14-10-9-13-22(23)31-26(32)17-30-29(35)20-15-24(36-3)28(38-5)25(16-20)37-4/h6-16,19H,17-18H2,1-5H3,(H,30,35).
What are the key properties of 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 516.60 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).