N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

C23H22N6O4 — CID 44588580

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O
InChIInChI=1S/C23H22N6O4/c1-2-28(22(32)15-6-4-3-5-7-15)16-8-9-18-17(14-16)26-23(29(18)13-11-20(24)30)27-21(31)19-10-12-25-33-19/h3-10,12,14H,2,11,13H2,1H3,(H2,24,30)(H,26,27,31)
InChIKeyKSAYXIAZOJMFBP-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.82
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 44588580) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID44588580
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O
InChIInChI=1S/C23H22N6O4/c1-2-28(22(32)15-6-4-3-5-7-15)16-8-9-18-17(14-16)26-23(29(18)13-11-20(24)30)27-21(31)19-10-12-25-33-19/h3-10,12,14H,2,11,13H2,1H3,(H2,24,30)(H,26,27,31)
InChIKeyKSAYXIAZOJMFBP-UHFFFAOYSA-N
XLogP2.82
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (CID 44588580) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is CCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is KSAYXIAZOJMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-2-28(22(32)15-6-4-3-5-7-15)16-8-9-18-17(14-16)26-23(29(18)13-11-20(24)30)27-21(31)19-10-12-25-33-19/h3-10,12,14H,2,11,13H2,1H3,(H2,24,30)(H,26,27,31).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(ethyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 44588580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).