N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide

C27H29N3O6 — CID 70179082

IUPACN-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCOc1cc(CC(=O)NCc2ccccc2)c2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H29N3O6/c1-33-20-12-19(13-24(31)28-15-17-8-6-5-7-9-17)25-21(14-20)29-27(32)30(25)16-18-10-22(34-2)26(36-4)23(11-18)35-3/h5-12,14H,13,15-16H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyLQHBEHOWPWZCLR-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.27
Rot. Bonds10

About N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide

N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide (PubChem CID 70179082) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
PubChem CID70179082
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCOc1cc(CC(=O)NCc2ccccc2)c2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H29N3O6/c1-33-20-12-19(13-24(31)28-15-17-8-6-5-7-9-17)25-21(14-20)29-27(32)30(25)16-18-10-22(34-2)26(36-4)23(11-18)35-3/h5-12,14H,13,15-16H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyLQHBEHOWPWZCLR-UHFFFAOYSA-N
XLogP3.27
TPSA103.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide 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-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
CID 70179521
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide (CID 70179082) is N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide is COc1cc(CC(=O)NCc2ccccc2)c2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
The InChIKey is LQHBEHOWPWZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-33-20-12-19(13-24(31)28-15-17-8-6-5-7-9-17)25-21(14-20)29-27(32)30(25)16-18-10-22(34-2)26(36-4)23(11-18)35-3/h5-12,14H,13,15-16H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide?
N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide has a molecular weight of 491.54 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 70179082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).