3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide

C22H25N5O4 — CID 75489558

IUPAC3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
SMILESCC(C)n1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21
InChIInChI=1S/C22H25N5O4/c1-14(2)27-18-8-4-3-7-16(18)24-19(27)12-23-20(28)10-9-17-21(29)26(22(30)25-17)13-15-6-5-11-31-15/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,28)(H,25,30)/t17-/m0/s1
InChIKeyYBUXBBGXGLNIHM-KRWDZBQOSA-N
MW423.47 g/mol
LogP2.73
Rot. Bonds8

About 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide

3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 75489558) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
PubChem CID75489558
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
SMILESCC(C)n1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21
InChIInChI=1S/C22H25N5O4/c1-14(2)27-18-8-4-3-7-16(18)24-19(27)12-23-20(28)10-9-17-21(29)26(22(30)25-17)13-15-6-5-11-31-15/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,28)(H,25,30)/t17-/m0/s1
InChIKeyYBUXBBGXGLNIHM-KRWDZBQOSA-N
XLogP2.73
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.73
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

N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91901529
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75356814
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829656

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide (CID 75489558) is 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide is CC(C)n1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)nc2ccccc21.
What is the InChIKey of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is YBUXBBGXGLNIHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14(2)27-18-8-4-3-7-16(18)24-19(27)12-23-20(28)10-9-17-21(29)26(22(30)25-17)13-15-6-5-11-31-15/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,28)(H,25,30)/t17-/m0/s1.
What are the key properties of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 423.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 75489558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).