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

C23H20ClN3O — CID 17032565

IUPACN-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H20ClN3O/c24-19-12-10-17(11-13-19)14-22-26-20-8-4-5-9-21(20)27(22)16-23(28)25-15-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,28)
InChIKeyLFVHCQJALVEFQF-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.60
Rot. Bonds6

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

N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17032565) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID17032565
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H20ClN3O/c24-19-12-10-17(11-13-19)14-22-26-20-8-4-5-9-21(20)27(22)16-23(28)25-15-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,28)
InChIKeyLFVHCQJALVEFQF-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25369283
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide (CID 17032565) is N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide is O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is LFVHCQJALVEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-19-12-10-17(11-13-19)14-22-26-20-8-4-5-9-21(20)27(22)16-23(28)25-15-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,28).
What are the key properties of N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).