N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide

C28H34N4O — CID 25337790

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H34N4O/c1-19(28-14-21-11-22(15-28)13-23(12-21)16-28)30-26(33)18-32-25-10-6-5-9-24(25)31-27(32)29-17-20-7-3-2-4-8-20/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,33)/t19-,21?,22?,23?,28?/m1/s1
InChIKeyHEWXTNDLFITSOH-FRYXCQQQSA-N
MW442.61 g/mol
LogP5.37
Rot. Bonds7

About N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide (PubChem CID 25337790) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide
PubChem CID25337790
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H34N4O/c1-19(28-14-21-11-22(15-28)13-23(12-21)16-28)30-26(33)18-32-25-10-6-5-9-24(25)31-27(32)29-17-20-7-3-2-4-8-20/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,33)/t19-,21?,22?,23?,28?/m1/s1
InChIKeyHEWXTNDLFITSOH-FRYXCQQQSA-N
XLogP5.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 98595972
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
N-[1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4810008
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 140825038
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide (CID 25337790) is N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide is C[C@@H](NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide?
The InChIKey is HEWXTNDLFITSOH-FRYXCQQQSA-N. The full InChI is InChI=1S/C28H34N4O/c1-19(28-14-21-11-22(15-28)13-23(12-21)16-28)30-26(33)18-32-25-10-6-5-9-24(25)31-27(32)29-17-20-7-3-2-4-8-20/h2-10,19,21-23H,11-18H2,1H3,(H,29,31)(H,30,33)/t19-,21?,22?,23?,28?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide has a molecular weight of 442.61 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 25337790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).