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

C25H23N5O3S — CID 25190545

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide
SMILESC=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
InChIInChI=1S/C25H23N5O3S/c1-3-18-10-12-21(34-18)23(32)28-25-27-19-15-17(9-11-20(19)30(25)14-13-22(26)31)29(2)24(33)16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3,(H2,26,31)(H,27,28,32)
InChIKeyWJBWDHCGIKSMMX-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.15
Rot. Bonds8

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide (PubChem CID 25190545) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide
PubChem CID25190545
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide
SMILESC=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
InChIInChI=1S/C25H23N5O3S/c1-3-18-10-12-21(34-18)23(32)28-25-27-19-15-17(9-11-20(19)30(25)14-13-22(26)31)29(2)24(33)16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3,(H2,26,31)(H,27,28,32)
InChIKeyWJBWDHCGIKSMMX-UHFFFAOYSA-N
XLogP4.15
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90044055
CID 90044055
CID 135800218
CID 135800218
CID 7080336
CID 7080336
CID 1160447
CID 1160447
CID 11237786
CID 11237786
CID 11341428
CID 11341428
CID 11489351
CID 11489351
CID 25110758
CID 25110758
CID 25110759
CID 25110759
CID 25190503
CID 25190503
CID 25190505
CID 25190505
CID 25190507
CID 25190507

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide (CID 25190545) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide is C=Cc1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide?
The InChIKey is WJBWDHCGIKSMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-3-18-10-12-21(34-18)23(32)28-25-27-19-15-17(9-11-20(19)30(25)14-13-22(26)31)29(2)24(33)16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3,(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]-5-ethenylthiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-ethenylthiophene-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.15, 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]-5-ethenylthiophene-2-carboxamide is sourced from PubChem (CID 25190545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).