N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

C22H28N4O2 — CID 51142202

IUPACN-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C22H28N4O2/c1-22(2,3)26(15-17-9-5-4-6-10-17)20(28)16-25-19-12-8-7-11-18(19)24-21(25)23-13-14-27/h4-12,27H,13-16H2,1-3H3,(H,23,24)
InChIKeyQZJZFYMDGQGCTO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds7

About N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (PubChem CID 51142202) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
PubChem CID51142202
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C22H28N4O2/c1-22(2,3)26(15-17-9-5-4-6-10-17)20(28)16-25-19-12-8-7-11-18(19)24-21(25)23-13-14-27/h4-12,27H,13-16H2,1-3H3,(H,23,24)
InChIKeyQZJZFYMDGQGCTO-UHFFFAOYSA-N
XLogP3.27
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 146125808
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969455
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (CID 51142202) is N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)Cn1c(NCCO)nc2ccccc21.
What is the InChIKey of N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The InChIKey is QZJZFYMDGQGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)26(15-17-9-5-4-6-10-17)20(28)16-25-19-12-8-7-11-18(19)24-21(25)23-13-14-27/h4-12,27H,13-16H2,1-3H3,(H,23,24).
What are the key properties of N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51142202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).