3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide

C23H25N5O4 — CID 91640478

IUPAC3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-27-14-24-19-13-16(5-9-20(19)27)25-21(29)10-8-18-22(30)28(23(31)26-18)12-11-15-3-6-17(32-2)7-4-15/h3-7,9,13-14,18H,8,10-12H2,1-2H3,(H,25,29)(H,26,31)/t18-/m0/s1
InChIKeyFJPFCIOVVRNNKT-SFHVURJKSA-N
MW435.48 g/mol
LogP2.46
Rot. Bonds8

About 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide

3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 91640478) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID91640478
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-27-14-24-19-13-16(5-9-20(19)27)25-21(29)10-8-18-22(30)28(23(31)26-18)12-11-15-3-6-17(32-2)7-4-15/h3-7,9,13-14,18H,8,10-12H2,1-2H3,(H,25,29)(H,26,31)/t18-/m0/s1
InChIKeyFJPFCIOVVRNNKT-SFHVURJKSA-N
XLogP2.46
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 124862824
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide
CID 99871054
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 75357077
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060
3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 126417347
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide (CID 91640478) is 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide is COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1.
What is the InChIKey of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is FJPFCIOVVRNNKT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-27-14-24-19-13-16(5-9-20(19)27)25-21(29)10-8-18-22(30)28(23(31)26-18)12-11-15-3-6-17(32-2)7-4-15/h3-7,9,13-14,18H,8,10-12H2,1-2H3,(H,25,29)(H,26,31)/t18-/m0/s1.
What are the key properties of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide?
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 435.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 91640478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).