N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

C21H25N3O2 — CID 16974172

IUPACN-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-3-17-8-10-18(11-9-17)26-15-14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(2)25/h4-11H,3,12-15H2,1-2H3,(H,22,25)
InChIKeyWNUNOGZRLHLGHV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds8

About N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16974172) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16974172
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-3-17-8-10-18(11-9-17)26-15-14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(2)25/h4-11H,3,12-15H2,1-2H3,(H,22,25)
InChIKeyWNUNOGZRLHLGHV-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980430
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986959
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16980575
4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984617
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16974172) is N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is CCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is WNUNOGZRLHLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-17-8-10-18(11-9-17)26-15-14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(2)25/h4-11H,3,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16974172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).