N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C26H33N3O3 — CID 16975077

IUPACN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C26H33N3O3/c1-2-31-23-14-8-9-15-24(23)32-19-18-29-22-13-7-6-12-21(22)28-25(29)16-17-27-26(30)20-10-4-3-5-11-20/h6-9,12-15,20H,2-5,10-11,16-19H2,1H3,(H,27,30)
InChIKeyLZLTUUHPKUUADE-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.75
Rot. Bonds10

About N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16975077) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16975077
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C26H33N3O3/c1-2-31-23-14-8-9-15-24(23)32-19-18-29-22-13-7-6-12-21(22)28-25(29)16-17-27-26(30)20-10-4-3-5-11-20/h6-9,12-15,20H,2-5,10-11,16-19H2,1H3,(H,27,30)
InChIKeyLZLTUUHPKUUADE-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981549
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888867
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16975077) is N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is CCOc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is LZLTUUHPKUUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-2-31-23-14-8-9-15-24(23)32-19-18-29-22-13-7-6-12-21(22)28-25(29)16-17-27-26(30)20-10-4-3-5-11-20/h6-9,12-15,20H,2-5,10-11,16-19H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16975077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).