N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide

C26H25N5O4 — CID 25190504

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C26H25N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h3-13,16H,14-15H2,1-2H3,(H2,27,32)(H,28,29,33)
InChIKeyFMLPBXPSIJPCHY-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.45
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide (PubChem CID 25190504) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide
PubChem CID25190504
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)cc1
InChIInChI=1S/C26H25N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h3-13,16H,14-15H2,1-2H3,(H2,27,32)(H,28,29,33)
InChIKeyFMLPBXPSIJPCHY-UHFFFAOYSA-N
XLogP3.45
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-4-methoxybenzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide (CID 25190504) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)cc1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide?
The InChIKey is FMLPBXPSIJPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h3-13,16H,14-15H2,1-2H3,(H2,27,32)(H,28,29,33).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-methoxybenzamide has a molecular weight of 471.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-methoxybenzamide is sourced from PubChem (CID 25190504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).