N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

C25H24ClN3O — CID 17001117

IUPACN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H24ClN3O/c1-18(2)28(16-19-8-4-3-5-9-19)24(30)17-29-23-11-7-6-10-22(23)27-25(29)20-12-14-21(26)15-13-20/h3-15,18H,16-17H2,1-2H3
InChIKeyBZYWBQBIUVJKHZ-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.79
Rot. Bonds6

About N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17001117) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17001117
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H24ClN3O/c1-18(2)28(16-19-8-4-3-5-9-19)24(30)17-29-23-11-7-6-10-22(23)27-25(29)20-12-14-21(26)15-13-20/h3-15,18H,16-17H2,1-2H3
InChIKeyBZYWBQBIUVJKHZ-UHFFFAOYSA-N
XLogP5.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16995805
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-benzyl-N-propan-2-ylacetamide
CID 17006031
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 16968992
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006337
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969455
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17001117) is N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is BZYWBQBIUVJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-18(2)28(16-19-8-4-3-5-9-19)24(30)17-29-23-11-7-6-10-22(23)27-25(29)20-12-14-21(26)15-13-20/h3-15,18H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 417.94 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17001117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).