N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide

C21H21N5O3 — CID 71828246

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O3/c27-19(22-13-18-23-15-8-4-5-9-16(15)24-18)12-17-20(28)26(21(29)25-17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,27)(H,23,24)(H,25,29)/t17-/m0/s1
InChIKeyGBUBIHUCZREIDX-KRWDZBQOSA-N
MW391.43 g/mol
LogP1.73
Rot. Bonds7

About N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide (PubChem CID 71828246) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
PubChem CID71828246
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O3/c27-19(22-13-18-23-15-8-4-5-9-16(15)24-18)12-17-20(28)26(21(29)25-17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,27)(H,23,24)(H,25,29)/t17-/m0/s1
InChIKeyGBUBIHUCZREIDX-KRWDZBQOSA-N
XLogP1.73
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 86207041
N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124862993
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 91821929
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 99871295
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide (CID 71828246) is N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide is O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide?
The InChIKey is GBUBIHUCZREIDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(22-13-18-23-15-8-4-5-9-16(15)24-18)12-17-20(28)26(21(29)25-17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,22,27)(H,23,24)(H,25,29)/t17-/m0/s1.
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 71828246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).