N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

C20H23N3O — CID 16996582

IUPACN-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-15(2)20-21-17-11-7-8-12-18(17)23(20)14-19(24)22(3)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeySKZASEDWIYXATM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.82
Rot. Bonds5

About N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 16996582) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
PubChem CID16996582
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-15(2)20-21-17-11-7-8-12-18(17)23(20)14-19(24)22(3)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeySKZASEDWIYXATM-UHFFFAOYSA-N
XLogP3.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16968219
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
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-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969455

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (CID 16996582) is N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is CC(C)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is SKZASEDWIYXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(2)20-21-17-11-7-8-12-18(17)23(20)14-19(24)22(3)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 16996582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).