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

C27H35N3O2 — CID 16981546

IUPACN-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1C
InChIInChI=1S/C27H35N3O2/c1-20-10-8-15-25(21(20)2)32-19-18-30-24-14-7-6-13-23(24)29-26(30)16-9-17-28-27(31)22-11-4-3-5-12-22/h6-8,10,13-15,22H,3-5,9,11-12,16-19H2,1-2H3,(H,28,31)
InChIKeyWYIUGJDJAVSFEV-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.36
Rot. Bonds9

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

N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 16981546) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID16981546
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1C
InChIInChI=1S/C27H35N3O2/c1-20-10-8-15-25(21(20)2)32-19-18-30-24-14-7-6-13-23(24)29-26(30)16-9-17-28-27(31)22-11-4-3-5-12-22/h6-8,10,13-15,22H,3-5,9,11-12,16-19H2,1-2H3,(H,28,31)
InChIKeyWYIUGJDJAVSFEV-UHFFFAOYSA-N
XLogP5.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981549
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888867
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975077
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975348
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989180

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 16981546) is N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is Cc1cccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1C.
What is the InChIKey of N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is WYIUGJDJAVSFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20-10-8-15-25(21(20)2)32-19-18-30-24-14-7-6-13-23(24)29-26(30)16-9-17-28-27(31)22-11-4-3-5-12-22/h6-8,10,13-15,22H,3-5,9,11-12,16-19H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 16981546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).