N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide

C26H32N4O3 — CID 17006639

IUPACN-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32N4O3/c1-33-19-25(31)27-16-24-28-22-14-8-9-15-23(22)30(24)18-26(32)29(21-12-6-3-7-13-21)17-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-19H2,1H3,(H,27,31)
InChIKeyTZWBNCGGKQJDHD-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.66
Rot. Bonds9

About N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide (PubChem CID 17006639) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
PubChem CID17006639
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C26H32N4O3/c1-33-19-25(31)27-16-24-28-22-14-8-9-15-23(22)30(24)18-26(32)29(21-12-6-3-7-13-21)17-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-19H2,1H3,(H,27,31)
InChIKeyTZWBNCGGKQJDHD-UHFFFAOYSA-N
XLogP3.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979206
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973861
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide (CID 17006639) is N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide is COCC(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
The InChIKey is TZWBNCGGKQJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-33-19-25(31)27-16-24-28-22-14-8-9-15-23(22)30(24)18-26(32)29(21-12-6-3-7-13-21)17-20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-19H2,1H3,(H,27,31).
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17006639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).