N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide

C33H39N3O2 — CID 16998804

IUPACN-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C33H39N3O2/c1-33(2,3)26-18-20-28(21-19-26)38-24-31-34-29-16-10-11-17-30(29)36(31)23-32(37)35(27-14-8-5-9-15-27)22-25-12-6-4-7-13-25/h4,6-7,10-13,16-21,27H,5,8-9,14-15,22-24H2,1-3H3
InChIKeyQXLKECZSXCGLEB-UHFFFAOYSA-N
MW509.69 g/mol
LogP7.27
Rot. Bonds8

About N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide

N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide (PubChem CID 16998804) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
PubChem CID16998804
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC NameN-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C33H39N3O2/c1-33(2,3)26-18-20-28(21-19-26)38-24-31-34-29-16-10-11-17-30(29)36(31)23-32(37)35(27-14-8-5-9-15-27)22-25-12-6-4-7-13-25/h4,6-7,10-13,16-21,27H,5,8-9,14-15,22-24H2,1-3H3
InChIKeyQXLKECZSXCGLEB-UHFFFAOYSA-N
XLogP7.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16997674
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981519
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide (CID 16998804) is N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide is CC(C)(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is QXLKECZSXCGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-33(2,3)26-18-20-28(21-19-26)38-24-31-34-29-16-10-11-17-30(29)36(31)23-32(37)35(27-14-8-5-9-15-27)22-25-12-6-4-7-13-25/h4,6-7,10-13,16-21,27H,5,8-9,14-15,22-24H2,1-3H3.
What are the key properties of N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide?
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 509.69 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 16998804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).