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

C28H24N6O3S — CID 11237786

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccn3)s1)n2CCC(N)=O
InChIInChI=1S/C28H24N6O3S/c1-33(27(37)18-7-3-2-4-8-18)19-10-11-22-21(17-19)31-28(34(22)16-14-25(29)35)32-26(36)24-13-12-23(38-24)20-9-5-6-15-30-20/h2-13,15,17H,14,16H2,1H3,(H2,29,35)(H,31,32,36)
InChIKeyJEGQJSKRWOBVEP-UHFFFAOYSA-N
MW524.61 g/mol
LogP4.56
Rot. Bonds8

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

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 11237786) has the molecular formula C28H24N6O3S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID11237786
Molecular FormulaC28H24N6O3S
Molecular Weight524.61 g/mol
Exact Mass524.16
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccn3)s1)n2CCC(N)=O
InChIInChI=1S/C28H24N6O3S/c1-33(27(37)18-7-3-2-4-8-18)19-10-11-22-21(17-19)31-28(34(22)16-14-25(29)35)32-26(36)24-13-12-23(38-24)20-9-5-6-15-30-20/h2-13,15,17H,14,16H2,1H3,(H2,29,35)(H,31,32,36)
InChIKeyJEGQJSKRWOBVEP-UHFFFAOYSA-N
XLogP4.56
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 11237786) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccn3)s1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is JEGQJSKRWOBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3S/c1-33(27(37)18-7-3-2-4-8-18)19-10-11-22-21(17-19)31-28(34(22)16-14-25(29)35)32-26(36)24-13-12-23(38-24)20-9-5-6-15-30-20/h2-13,15,17H,14,16H2,1H3,(H2,29,35)(H,31,32,36).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 524.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 11237786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).