N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide

C25H23N5O3 — CID 25190503

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O
InChIInChI=1S/C25H23N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNWUSHDACDTZXCD-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide (PubChem CID 25190503) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide
PubChem CID25190503
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O
InChIInChI=1S/C25H23N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyNWUSHDACDTZXCD-UHFFFAOYSA-N
XLogP3.44
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide (CID 25190503) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide?
The InChIKey is NWUSHDACDTZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 25190503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).