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

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

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 75489604) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name	3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
PubChem CID	75489604
Molecular Formula	C23H25N5O4
Molecular Weight	435.48 g/mol
Exact Mass	435.19
IUPAC Name	3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILES	COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3nc4ccccc4n3C)C2=O)cc1
InChI	InChI=1S/C23H25N5O4/c1-27-19-6-4-3-5-17(19)25-20(27)13-24-21(29)12-11-18-22(30)28(23(31)26-18)14-15-7-9-16(32-2)10-8-15/h3-10,18H,11-14H2,1-2H3,(H,24,29)(H,26,31)/t18-/m0/s1
InChIKey	QYUUXIACOFPFKA-SFHVURJKSA-N
XLogP	2.10
TPSA	105.56 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?

The IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (CID 75489604) is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?

The canonical SMILES for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3nc4ccccc4n3C)C2=O)cc1.

What is the InChIKey of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?

The InChIKey is QYUUXIACOFPFKA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-27-19-6-4-3-5-17(19)25-20(27)13-24-21(29)12-11-18-22(30)28(23(31)26-18)14-15-7-9-16(32-2)10-8-15/h3-10,18H,11-14H2,1-2H3,(H,24,29)(H,26,31)/t18-/m0/s1.

What are the key properties of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 435.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 75489604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).