N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide

C20H15N3OS — CID 5342394

IUPACN-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
SMILESO=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-20(14-7-2-1-3-8-14)23-18(13-15-9-6-12-25-15)19-21-16-10-4-5-11-17(16)22-19/h1-13H,(H,21,22)(H,23,24)/b18-13+
InChIKeyHEUVVUFXJGEDOZ-QGOAFFKASA-N
MW345.43 g/mol
LogP4.55
Rot. Bonds4

About N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide

N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide (PubChem CID 5342394) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
PubChem CID5342394
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
SMILESO=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-20(14-7-2-1-3-8-14)23-18(13-15-9-6-12-25-15)19-21-16-10-4-5-11-17(16)22-19/h1-13H,(H,21,22)(H,23,24)/b18-13+
InChIKeyHEUVVUFXJGEDOZ-QGOAFFKASA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide (CID 5342394) is N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide.
What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide is O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The InChIKey is HEUVVUFXJGEDOZ-QGOAFFKASA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20(14-7-2-1-3-8-14)23-18(13-15-9-6-12-25-15)19-21-16-10-4-5-11-17(16)22-19/h1-13H,(H,21,22)(H,23,24)/b18-13+.
What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide has a molecular weight of 345.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide is sourced from PubChem (CID 5342394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).