N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide

C20H14BrN3OS — CID 2883257

IUPACN-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
SMILESO=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C20H14BrN3OS/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)
InChIKeySHOYNIQDFXZNKN-UHFFFAOYSA-N
MW424.32 g/mol
LogP5.32
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide (PubChem CID 2883257) has the molecular formula C20H14BrN3OS and a molecular weight of 424.32 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
PubChem CID2883257
Molecular FormulaC20H14BrN3OS
Molecular Weight424.32 g/mol
Exact Mass423.00
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
SMILESO=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C20H14BrN3OS/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)
InChIKeySHOYNIQDFXZNKN-UHFFFAOYSA-N
XLogP5.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.32
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5022344
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 1128210
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol
CID 135546030
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
CID 5387521
N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 10571376
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide (CID 2883257) is N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide is O=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide?
The InChIKey is SHOYNIQDFXZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3OS/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2883257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).