3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide

C27H22N4O2S — CID 44523589

IUPAC3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)c1
InChIInChI=1S/C27H22N4O2S/c1-16-6-3-11-22-25(16)31-26(30-22)24-13-12-23(34-24)18-7-4-10-21(14-18)29-27(33)19-8-5-9-20(15-19)28-17(2)32/h3-15H,1-2H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyKSFPUUCIDDCSLO-UHFFFAOYSA-N
MW466.57 g/mol
LogP6.48
Rot. Bonds5

About 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide

3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide (PubChem CID 44523589) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
PubChem CID44523589
Molecular FormulaC27H22N4O2S
Molecular Weight466.57 g/mol
Exact Mass466.15
IUPAC Name3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)c1
InChIInChI=1S/C27H22N4O2S/c1-16-6-3-11-22-25(16)31-26(30-22)24-13-12-23(34-24)18-7-4-10-21(14-18)29-27(33)19-8-5-9-20(15-19)28-17(2)32/h3-15H,1-2H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyKSFPUUCIDDCSLO-UHFFFAOYSA-N
XLogP6.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Nocodazole
CID 4122
1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 247228
N-[4-[6-(2-thenoylamino)-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-(2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
CID 11348947
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
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-benzoylthiophene-2-carboxamide
CID 25190524
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8f
CID 25190548

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide (CID 44523589) is 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is KSFPUUCIDDCSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c1-16-6-3-11-22-25(16)31-26(30-22)24-13-12-23(34-24)18-7-4-10-21(14-18)29-27(33)19-8-5-9-20(15-19)28-17(2)32/h3-15H,1-2H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide has a molecular weight of 466.57 g/mol, XLogP of 6.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 44523589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).