N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide

C23H25N5O3 — CID 75488771

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O3/c29-21(24-14-6-11-20-25-17-9-4-5-10-18(17)26-20)13-12-19-22(30)28(23(31)27-19)15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,24,29)(H,25,26)(H,27,31)/t19-/m0/s1
InChIKeyUHLWRNHCXJYIMC-IBGZPJMESA-N
MW419.49 g/mol
LogP2.51
Rot. Bonds9

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 75488771) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID75488771
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O3/c29-21(24-14-6-11-20-25-17-9-4-5-10-18(17)26-20)13-12-19-22(30)28(23(31)27-19)15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,24,29)(H,25,26)(H,27,31)/t19-/m0/s1
InChIKeyUHLWRNHCXJYIMC-IBGZPJMESA-N
XLogP2.51
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124862993
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
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 124861449
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 71828246
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 91821927

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 75488771) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is UHLWRNHCXJYIMC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21(24-14-6-11-20-25-17-9-4-5-10-18(17)26-20)13-12-19-22(30)28(23(31)27-19)15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,24,29)(H,25,26)(H,27,31)/t19-/m0/s1.
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 419.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 75488771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).