N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide

C33H39N3O2 — CID 16997674

IUPACN-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C33H39N3O2/c1-24(2)28-19-18-25(3)20-31(28)38-23-32-34-29-16-10-11-17-30(29)36(32)22-33(37)35(27-14-8-5-9-15-27)21-26-12-6-4-7-13-26/h4,6-7,10-13,16-20,24,27H,5,8-9,14-15,21-23H2,1-3H3
InChIKeyVWEUJTBEFXLMAU-UHFFFAOYSA-N
MW509.69 g/mol
LogP7.41
Rot. Bonds9

About N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16997674) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID16997674
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C33H39N3O2/c1-24(2)28-19-18-25(3)20-31(28)38-23-32-34-29-16-10-11-17-30(29)36(32)22-33(37)35(27-14-8-5-9-15-27)21-26-12-6-4-7-13-26/h4,6-7,10-13,16-20,24,27H,5,8-9,14-15,21-23H2,1-3H3
InChIKeyVWEUJTBEFXLMAU-UHFFFAOYSA-N
XLogP7.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 57.41
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
2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16997668
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16998038
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-[1-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967141
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 16997674) is N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide is Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)c1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is VWEUJTBEFXLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-24(2)28-19-18-25(3)20-31(28)38-23-32-34-29-16-10-11-17-30(29)36(32)22-33(37)35(27-14-8-5-9-15-27)21-26-12-6-4-7-13-26/h4,6-7,10-13,16-20,24,27H,5,8-9,14-15,21-23H2,1-3H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 509.69 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16997674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).