N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

C27H35N3O3 — CID 16981549

IUPACN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C27H35N3O3/c1-2-32-24-15-8-9-16-25(24)33-20-19-30-23-14-7-6-13-22(23)29-26(30)17-10-18-28-27(31)21-11-4-3-5-12-21/h6-9,13-16,21H,2-5,10-12,17-20H2,1H3,(H,28,31)
InChIKeyWVBYCVLOCVUKCV-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.14
Rot. Bonds11

About N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide

N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 16981549) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID16981549
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C27H35N3O3/c1-2-32-24-15-8-9-16-25(24)33-20-19-30-23-14-7-6-13-22(23)29-26(30)17-10-18-28-27(31)21-11-4-3-5-12-21/h6-9,13-16,21H,2-5,10-12,17-20H2,1H3,(H,28,31)
InChIKeyWVBYCVLOCVUKCV-UHFFFAOYSA-N
XLogP5.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975077
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-[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-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989180
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 16981549) is N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is CCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is WVBYCVLOCVUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-2-32-24-15-8-9-16-25(24)33-20-19-30-23-14-7-6-13-22(23)29-26(30)17-10-18-28-27(31)21-11-4-3-5-12-21/h6-9,13-16,21H,2-5,10-12,17-20H2,1H3,(H,28,31).
What are the key properties of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 449.60 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 16981549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).