N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide

C31H35N3O2 — CID 16998435

IUPACN-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCCc1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C31H35N3O2/c1-2-24-17-19-27(20-18-24)36-23-30-32-28-15-9-10-16-29(28)34(30)22-31(35)33(26-13-7-4-8-14-26)21-25-11-5-3-6-12-25/h3,5-6,9-12,15-20,26H,2,4,7-8,13-14,21-23H2,1H3
InChIKeyUXMCOGJQOIHNFB-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.54
Rot. Bonds9

About N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16998435) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID16998435
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCCc1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C31H35N3O2/c1-2-24-17-19-27(20-18-24)36-23-30-32-28-15-9-10-16-29(28)34(30)22-31(35)33(26-13-7-4-8-14-26)21-25-11-5-3-6-12-25/h3,5-6,9-12,15-20,26H,2,4,7-8,13-14,21-23H2,1H3
InChIKeyUXMCOGJQOIHNFB-UHFFFAOYSA-N
XLogP6.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.54
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-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-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
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-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 16998435) is N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide is CCc1ccc(OCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is UXMCOGJQOIHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-2-24-17-19-27(20-18-24)36-23-30-32-28-15-9-10-16-29(28)34(30)22-31(35)33(26-13-7-4-8-14-26)21-25-11-5-3-6-12-25/h3,5-6,9-12,15-20,26H,2,4,7-8,13-14,21-23H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 481.64 g/mol, XLogP of 6.54, 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-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16998435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).