4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide

C25H18N4O2S — CID 44523950

IUPAC4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C25H18N4O2S/c26-23(30)15-8-10-16(11-9-15)25(31)27-19-5-3-4-17(12-19)18-13-22(32-14-18)24-28-20-6-1-2-7-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyRHKWGFQRFNXDSN-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.31
Rot. Bonds5

About 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide

4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide (PubChem CID 44523950) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
PubChem CID44523950
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C25H18N4O2S/c26-23(30)15-8-10-16(11-9-15)25(31)27-19-5-3-4-17(12-19)18-13-22(32-14-18)24-28-20-6-1-2-7-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyRHKWGFQRFNXDSN-UHFFFAOYSA-N
XLogP5.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide 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

Nocodazole
CID 4122
1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 247228
2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 1160447
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
6-fluoro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348704
6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348705
2-(4,4,6,6-Tetramethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)-1H-benzimidazole-4-carboxylic Acid Amide
CID 11739323
ethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 44354817
2-(1H-Benzimidazol-2-yl)-1-(2-thienyl)ethanone
CID 2392257
2-Aminobenzimidazole with trans-stilbene, 8p
CID 25190559
N-(1H-benzimidazol-2-yl)-3-methylthiophene-2-carboxamide
CID 2084198

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide (CID 44523950) is 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1.
What is the InChIKey of 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is RHKWGFQRFNXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c26-23(30)15-8-10-16(11-9-15)25(31)27-19-5-3-4-17(12-19)18-13-22(32-14-18)24-28-20-6-1-2-7-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29).
What are the key properties of 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide?
4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 438.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 44523950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).