N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide

C23H25N7O4 — CID 41272661

IUPACN-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O
InChIInChI=1S/C23H25N7O4/c1-23(18-9-6-10-19(13-18)30-16-24-26-27-30)21(32)29(22(33)25-23)15-20(31)28(11-12-34-2)14-17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,33)/t23-/m0/s1
InChIKeyUPJZMQOPOMXKTC-QHCPKHFHSA-N
MW463.50 g/mol
LogP1.10
Rot. Bonds9

About N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide

N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 41272661) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID41272661
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O
InChIInChI=1S/C23H25N7O4/c1-23(18-9-6-10-19(13-18)30-16-24-26-27-30)21(32)29(22(33)25-23)15-20(31)28(11-12-34-2)14-17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,33)/t23-/m0/s1
InChIKeyUPJZMQOPOMXKTC-QHCPKHFHSA-N
XLogP1.10
TPSA122.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41048098
(5R)-3-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196473
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 25478375
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332
2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
CID 42920903
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
CID 41045837
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5S)-5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40794707

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide (CID 41272661) is N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide is COCCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is UPJZMQOPOMXKTC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-23(18-9-6-10-19(13-18)30-16-24-26-27-30)21(32)29(22(33)25-23)15-20(31)28(11-12-34-2)14-17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,33)/t23-/m0/s1.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide?
N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 463.50 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 41272661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).