N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C27H35N3O2 — CID 16968473

IUPACN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(OCCn2c(CNC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C27H35N3O2/c1-27(2,3)21-13-15-22(16-14-21)32-18-17-30-24-12-8-7-11-23(24)29-25(30)19-28-26(31)20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,28,31)
InChIKeyRUWCZIWABUYBOX-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.61
Rot. Bonds7

About N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 16968473) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID16968473
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(OCCn2c(CNC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C27H35N3O2/c1-27(2,3)21-13-15-22(16-14-21)32-18-17-30-24-12-8-7-11-23(24)29-25(30)19-28-26(31)20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,28,31)
InChIKeyRUWCZIWABUYBOX-UHFFFAOYSA-N
XLogP5.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975206
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[5-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989070
N-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968441
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971461
N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975091
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972479

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 16968473) is N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is CC(C)(C)c1ccc(OCCn2c(CNC(=O)C3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is RUWCZIWABUYBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-27(2,3)21-13-15-22(16-14-21)32-18-17-30-24-12-8-7-11-23(24)29-25(30)19-28-26(31)20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,28,31).
What are the key properties of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).