N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide

C27H27ClN4O2 — CID 16979531

IUPACN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H27ClN4O2/c1-31(18-21-7-3-2-4-8-21)27(34)19-32-24-10-6-5-9-23(24)30-25(32)15-16-29-26(33)17-20-11-13-22(28)14-12-20/h2-14H,15-19H2,1H3,(H,29,33)
InChIKeyCTBIMVCQTBWTIX-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.25
Rot. Bonds9

About N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide

N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 16979531) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID16979531
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC NameN-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H27ClN4O2/c1-31(18-21-7-3-2-4-8-21)27(34)19-32-24-10-6-5-9-23(24)30-25(32)15-16-29-26(33)17-20-11-13-22(28)14-12-20/h2-14H,15-19H2,1H3,(H,29,33)
InChIKeyCTBIMVCQTBWTIX-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.25
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-phenylacetamide
CID 16979045
2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979546
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
CID 16993297
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]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide (CID 16979531) is N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide is CN(Cc1ccccc1)C(=O)Cn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is CTBIMVCQTBWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-31(18-21-7-3-2-4-8-21)27(34)19-32-24-10-6-5-9-23(24)30-25(32)15-16-29-26(33)17-20-11-13-22(28)14-12-20/h2-14H,15-19H2,1H3,(H,29,33).
What are the key properties of N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 474.99 g/mol, XLogP of 4.25, 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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16979531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).