2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide

C25H25N3O2 — CID 46328909

IUPAC2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1
InChIInChI=1S/C25H25N3O2/c1-28-23-14-11-20(26-25(29)16-19-8-12-21(30-2)13-9-19)17-22(23)27-24(28)15-10-18-6-4-3-5-7-18/h3-9,11-14,17H,10,15-16H2,1-2H3,(H,26,29)
InChIKeyIFZWGGNPMBWUKS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.55
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide

2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide (PubChem CID 46328909) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
PubChem CID46328909
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1
InChIInChI=1S/C25H25N3O2/c1-28-23-14-11-20(26-25(29)16-19-8-12-21(30-2)13-9-19)17-22(23)27-24(28)15-10-18-6-4-3-5-7-18/h3-9,11-14,17H,10,15-16H2,1-2H3,(H,26,29)
InChIKeyIFZWGGNPMBWUKS-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
CID 46328935
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 46328944
N-[2-[2-(3,4-difluorophenoxy)propan-2-yl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 118461721
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-(4-methoxyphenyl)-N-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110779308
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide (CID 46328909) is 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide?
The InChIKey is IFZWGGNPMBWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-28-23-14-11-20(26-25(29)16-19-8-12-21(30-2)13-9-19)17-22(23)27-24(28)15-10-18-6-4-3-5-7-18/h3-9,11-14,17H,10,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide?
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 46328909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).