N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide

C23H17N5OS — CID 44523951

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1
InChIInChI=1S/C23H17N5OS/c1-14-11-25-20(12-24-14)23(29)26-17-6-4-5-15(9-17)16-10-21(30-13-16)22-27-18-7-2-3-8-19(18)28-22/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyJSGIFTBACFPOIO-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.31
Rot. Bonds4

About N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 44523951) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID44523951
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1
InChIInChI=1S/C23H17N5OS/c1-14-11-25-20(12-24-14)23(29)26-17-6-4-5-15(9-17)16-10-21(30-13-16)22-27-18-7-2-3-8-19(18)28-22/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyJSGIFTBACFPOIO-UHFFFAOYSA-N
XLogP5.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide (CID 44523951) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is JSGIFTBACFPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-14-11-25-20(12-24-14)23(29)26-17-6-4-5-15(9-17)16-10-21(30-13-16)22-27-18-7-2-3-8-19(18)28-22/h2-13H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 44523951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).