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

C26H25N5O3S — CID 25190566

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide
SMILESC=C(C)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
InChIInChI=1S/C26H25N5O3S/c1-16(2)21-11-12-22(35-21)24(33)29-26-28-19-15-18(9-10-20(19)31(26)14-13-23(27)32)30(3)25(34)17-7-5-4-6-8-17/h4-12,15H,1,13-14H2,2-3H3,(H2,27,32)(H,28,29,33)
InChIKeyGFQUVJBKDRURHN-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.54
Rot. Bonds8

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide (PubChem CID 25190566) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide
PubChem CID25190566
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide
SMILESC=C(C)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
InChIInChI=1S/C26H25N5O3S/c1-16(2)21-11-12-22(35-21)24(33)29-26-28-19-15-18(9-10-20(19)31(26)14-13-23(27)32)30(3)25(34)17-7-5-4-6-8-17/h4-12,15H,1,13-14H2,2-3H3,(H2,27,32)(H,28,29,33)
InChIKeyGFQUVJBKDRURHN-UHFFFAOYSA-N
XLogP4.54
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-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-prop-1-en-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide (CID 25190566) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide is C=C(C)c1ccc(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-prop-1-en-2-ylthiophene-2-carboxamide?
The InChIKey is GFQUVJBKDRURHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-16(2)21-11-12-22(35-21)24(33)29-26-28-19-15-18(9-10-20(19)31(26)14-13-23(27)32)30(3)25(34)17-7-5-4-6-8-17/h4-12,15H,1,13-14H2,2-3H3,(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]-5-prop-1-en-2-ylthiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-prop-1-en-2-ylthiophene-2-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 4.54, 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-prop-1-en-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 25190566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).