N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

C22H30Cl2N4O2 — CID 119586379

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(2)12-17(13-23)24-22(27)14-26-20-11-7-6-10-19(20)25-21(26)15-28-18-8-4-3-5-9-18;;/h3-11,16-17H,12-15,23H2,1-2H3,(H,24,27);2*1H
InChIKeyIFZIRAZTKCCAMU-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.95
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (PubChem CID 119586379) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
PubChem CID119586379
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(2)12-17(13-23)24-22(27)14-26-20-11-7-6-10-19(20)25-21(26)15-28-18-8-4-3-5-9-18;;/h3-11,16-17H,12-15,23H2,1-2H3,(H,24,27);2*1H
InChIKeyIFZIRAZTKCCAMU-UHFFFAOYSA-N
XLogP3.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride 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-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119587115
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119573300
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (CID 119586379) is N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is CC(C)CC(CN)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The InChIKey is IFZIRAZTKCCAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-16(2)12-17(13-23)24-22(27)14-26-20-11-7-6-10-19(20)25-21(26)15-28-18-8-4-3-5-9-18;;/h3-11,16-17H,12-15,23H2,1-2H3,(H,24,27);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119586379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).