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

C27H23N7O3S — CID 25190535

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnccn3)s1)n2CCC(N)=O
InChIInChI=1S/C27H23N7O3S/c1-33(26(37)17-5-3-2-4-6-17)18-7-8-21-19(15-18)31-27(34(21)14-11-24(28)35)32-25(36)23-10-9-22(38-23)20-16-29-12-13-30-20/h2-10,12-13,15-16H,11,14H2,1H3,(H2,28,35)(H,31,32,36)
InChIKeyXVZYMHZUVJKMBG-UHFFFAOYSA-N
MW525.59 g/mol
LogP3.96
Rot. Bonds8

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide (PubChem CID 25190535) has the molecular formula C27H23N7O3S and a molecular weight of 525.59 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide
PubChem CID25190535
Molecular FormulaC27H23N7O3S
Molecular Weight525.59 g/mol
Exact Mass525.16
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnccn3)s1)n2CCC(N)=O
InChIInChI=1S/C27H23N7O3S/c1-33(26(37)17-5-3-2-4-6-17)18-7-8-21-19(15-18)31-27(34(21)14-11-24(28)35)32-25(36)23-10-9-22(38-23)20-16-29-12-13-30-20/h2-10,12-13,15-16H,11,14H2,1H3,(H2,28,35)(H,31,32,36)
InChIKeyXVZYMHZUVJKMBG-UHFFFAOYSA-N
XLogP3.96
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide (CID 25190535) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnccn3)s1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide?
The InChIKey is XVZYMHZUVJKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3S/c1-33(26(37)17-5-3-2-4-6-17)18-7-8-21-19(15-18)31-27(34(21)14-11-24(28)35)32-25(36)23-10-9-22(38-23)20-16-29-12-13-30-20/h2-10,12-13,15-16H,11,14H2,1H3,(H2,28,35)(H,31,32,36).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyrazin-2-ylthiophene-2-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-pyrazin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 25190535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).