N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide

C29H38N4O2 — CID 17006484

IUPACN-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C29H38N4O2/c1-3-23(4-2)29(35)30-19-27-31-25-17-11-12-18-26(25)33(27)21-28(34)32(24-15-9-6-10-16-24)20-22-13-7-5-8-14-22/h5,7-8,11-14,17-18,23-24H,3-4,6,9-10,15-16,19-21H2,1-2H3,(H,30,35)
InChIKeyOQOZTYGTFMRKNP-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.45
Rot. Bonds10

About N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide

N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (PubChem CID 17006484) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
PubChem CID17006484
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC NameN-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C29H38N4O2/c1-3-23(4-2)29(35)30-19-27-31-25-17-11-12-18-26(25)33(27)21-28(34)32(24-15-9-6-10-16-24)20-22-13-7-5-8-14-22/h5,7-8,11-14,17-18,23-24H,3-4,6,9-10,15-16,19-21H2,1-2H3,(H,30,35)
InChIKeyOQOZTYGTFMRKNP-UHFFFAOYSA-N
XLogP5.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
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]-2-(2-methylphenyl)acetamide
CID 16979206
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
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]-2,2-dimethylpropanamide
CID 16981519
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (CID 17006484) is N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The InChIKey is OQOZTYGTFMRKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-3-23(4-2)29(35)30-19-27-31-25-17-11-12-18-26(25)33(27)21-28(34)32(24-15-9-6-10-16-24)20-22-13-7-5-8-14-22/h5,7-8,11-14,17-18,23-24H,3-4,6,9-10,15-16,19-21H2,1-2H3,(H,30,35).
What are the key properties of N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 474.65 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 17006484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).