N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

C27H28N4O2 — CID 16979045

IUPACN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H28N4O2/c1-30(19-22-12-6-3-7-13-22)27(33)20-31-24-15-9-8-14-23(24)29-25(31)16-17-28-26(32)18-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3,(H,28,32)
InChIKeyYZOSSWAWGDOAHW-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.60
Rot. Bonds9

About N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16979045) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16979045
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H28N4O2/c1-30(19-22-12-6-3-7-13-22)27(33)20-31-24-15-9-8-14-23(24)29-25(31)16-17-28-26(32)18-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3,(H,28,32)
InChIKeyYZOSSWAWGDOAHW-UHFFFAOYSA-N
XLogP3.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
CID 16979531
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971531
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16979045) is N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is CN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is YZOSSWAWGDOAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-30(19-22-12-6-3-7-13-22)27(33)20-31-24-15-9-8-14-23(24)29-25(31)16-17-28-26(32)18-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3,(H,28,32).
What are the key properties of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 440.55 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16979045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).