N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C18H21N5O4 — CID 99871290

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)N[C@H](CC(=O)NCCc2cnc[nH]2)C1=O
InChIInChI=1S/C18H21N5O4/c1-27-15-5-3-2-4-12(15)10-23-17(25)14(22-18(23)26)8-16(24)20-7-6-13-9-19-11-21-13/h2-5,9,11,14H,6-8,10H2,1H3,(H,19,21)(H,20,24)(H,22,26)/t14-/m1/s1
InChIKeyWVIVXHKZZPEPMN-CQSZACIVSA-N
MW371.40 g/mol
LogP0.59
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 99871290) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID99871290
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)N[C@H](CC(=O)NCCc2cnc[nH]2)C1=O
InChIInChI=1S/C18H21N5O4/c1-27-15-5-3-2-4-12(15)10-23-17(25)14(22-18(23)26)8-16(24)20-7-6-13-9-19-11-21-13/h2-5,9,11,14H,6-8,10H2,1H3,(H,19,21)(H,20,24)(H,22,26)/t14-/m1/s1
InChIKeyWVIVXHKZZPEPMN-CQSZACIVSA-N
XLogP0.59
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 51829857
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 124861449
2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 75489265
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851630
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 91641162
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 122169377

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 99871290) is N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccccc1CN1C(=O)N[C@H](CC(=O)NCCc2cnc[nH]2)C1=O.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is WVIVXHKZZPEPMN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-27-15-5-3-2-4-12(15)10-23-17(25)14(22-18(23)26)8-16(24)20-7-6-13-9-19-11-21-13/h2-5,9,11,14H,6-8,10H2,1H3,(H,19,21)(H,20,24)(H,22,26)/t14-/m1/s1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 99871290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).