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

C22H23N5O3 — CID 75489076

IUPAC3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C22H23N5O3/c1-26-18-10-6-5-9-16(18)24-19(26)13-23-20(28)12-11-17-21(29)27(22(30)25-17)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,23,28)(H,25,30)/t17-/m0/s1
InChIKeyPANXJQIVYSUXGB-KRWDZBQOSA-N
MW405.46 g/mol
LogP2.09
Rot. Bonds7

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

3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 75489076) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
PubChem CID75489076
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C22H23N5O3/c1-26-18-10-6-5-9-16(18)24-19(26)13-23-20(28)12-11-17-21(29)27(22(30)25-17)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,23,28)(H,25,30)/t17-/m0/s1
InChIKeyPANXJQIVYSUXGB-KRWDZBQOSA-N
XLogP2.09
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 124861231
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 51510547
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
CID 134022967

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (CID 75489076) is 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is Cn1c(CNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21.
What is the InChIKey of 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is PANXJQIVYSUXGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26-18-10-6-5-9-16(18)24-19(26)13-23-20(28)12-11-17-21(29)27(22(30)25-17)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,23,28)(H,25,30)/t17-/m0/s1.
What are the key properties of 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 405.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 75489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).