N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide

C20H23ClN4O3 — CID 78881116

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C20H23ClN4O3/c1-24(11-13-28-16-8-6-15(21)7-9-16)19(27)14-25-18-5-3-2-4-17(18)23-20(25)22-10-12-26/h2-9,26H,10-14H2,1H3,(H,22,23)
InChIKeySILIMYLPCCVDJE-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.63
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 78881116) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
PubChem CID78881116
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C20H23ClN4O3/c1-24(11-13-28-16-8-6-15(21)7-9-16)19(27)14-25-18-5-3-2-4-17(18)23-20(25)22-10-12-26/h2-9,26H,10-14H2,1H3,(H,22,23)
InChIKeySILIMYLPCCVDJE-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 146125808
N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142202
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
CID 166184268
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18136969
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142198
N-benzyl-2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16972008
methyl 2-[4-[2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]acetyl]phenoxy]acetate bromide
CID 53351445
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide (CID 78881116) is N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide is CN(CCOc1ccc(Cl)cc1)C(=O)Cn1c(NCCO)nc2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is SILIMYLPCCVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-24(11-13-28-16-8-6-15(21)7-9-16)19(27)14-25-18-5-3-2-4-17(18)23-20(25)22-10-12-26/h2-9,26H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 402.88 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 78881116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).