N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C23H25N5O4 — CID 124862993

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-32-16-10-8-15(9-11-16)14-28-22(30)19(27-23(28)31)13-21(29)24-12-4-7-20-25-17-5-2-3-6-18(17)26-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,24,29)(H,25,26)(H,27,31)/t19-/m1/s1
InChIKeyQAXHPGHYJLQFBJ-LJQANCHMSA-N
MW435.48 g/mol
LogP2.13
Rot. Bonds9

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124862993) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID124862993
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-32-16-10-8-15(9-11-16)14-28-22(30)19(27-23(28)31)13-21(29)24-12-4-7-20-25-17-5-2-3-6-18(17)26-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,24,29)(H,25,26)(H,27,31)/t19-/m1/s1
InChIKeyQAXHPGHYJLQFBJ-LJQANCHMSA-N
XLogP2.13
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-[2-(dimethylamino)ethyl]-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356959
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
CID 97264562
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442
N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 71828246
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124862993) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is QAXHPGHYJLQFBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-32-16-10-8-15(9-11-16)14-28-22(30)19(27-23(28)31)13-21(29)24-12-4-7-20-25-17-5-2-3-6-18(17)26-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,24,29)(H,25,26)(H,27,31)/t19-/m1/s1.
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124862993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).