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

C25H18N4O2S — CID 44523949

IUPAC3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C25H18N4O2S/c26-23(30)16-6-3-7-17(11-16)25(31)27-19-8-4-5-15(12-19)18-13-22(32-14-18)24-28-20-9-1-2-10-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyHEVMNCVQBFNGSS-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.31
Rot. Bonds5

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

3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide (PubChem CID 44523949) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide
PubChem CID44523949
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1
InChIInChI=1S/C25H18N4O2S/c26-23(30)16-6-3-7-17(11-16)25(31)27-19-8-4-5-15(12-19)18-13-22(32-14-18)24-28-20-9-1-2-10-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29)
InChIKeyHEVMNCVQBFNGSS-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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide (CID 44523949) is 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide?
The InChIKey is HEVMNCVQBFNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c26-23(30)16-6-3-7-17(11-16)25(31)27-19-8-4-5-15(12-19)18-13-22(32-14-18)24-28-20-9-1-2-10-21(20)29-24/h1-14H,(H2,26,30)(H,27,31)(H,28,29).
What are the key properties of 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide?
3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-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 3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 44523949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).