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

C26H33N3O2 — CID 16975074

IUPACN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1C
InChIInChI=1S/C26H33N3O2/c1-19-9-8-14-24(20(19)2)31-18-17-29-23-13-7-6-12-22(23)28-25(29)15-16-27-26(30)21-10-4-3-5-11-21/h6-9,12-14,21H,3-5,10-11,15-18H2,1-2H3,(H,27,30)
InChIKeyIBKLCWKMIWOPGU-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.97
Rot. Bonds8

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

N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16975074) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16975074
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1C
InChIInChI=1S/C26H33N3O2/c1-19-9-8-14-24(20(19)2)31-18-17-29-23-13-7-6-12-22(23)28-25(29)15-16-27-26(30)21-10-4-3-5-11-21/h6-9,12-14,21H,3-5,10-11,15-18H2,1-2H3,(H,27,30)
InChIKeyIBKLCWKMIWOPGU-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
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-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
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-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
2-(4-chlorophenyl)-N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979441
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888867

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16975074) is N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is Cc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1C.
What is the InChIKey of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is IBKLCWKMIWOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-9-8-14-24(20(19)2)31-18-17-29-23-13-7-6-12-22(23)28-25(29)15-16-27-26(30)21-10-4-3-5-11-21/h6-9,12-14,21H,3-5,10-11,15-18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.97, 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-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16975074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).