6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole

C23H24N2S — CID 70831286

IUPAC6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole
SMILESCCc1nc2ccc(-c3ccc(-c4ccc(C(C)CC)cc4)s3)cc2[nH]1
InChIInChI=1S/C23H24N2S/c1-4-15(3)16-6-8-17(9-7-16)21-12-13-22(26-21)18-10-11-19-20(14-18)25-23(5-2)24-19/h6-15H,4-5H2,1-3H3,(H,24,25)
InChIKeyWOCWACXUBPRBAK-UHFFFAOYSA-N
MW360.53 g/mol
LogP7.03
Rot. Bonds5

About 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole

6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole (PubChem CID 70831286) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole
PubChem CID70831286
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole
SMILESCCc1nc2ccc(-c3ccc(-c4ccc(C(C)CC)cc4)s3)cc2[nH]1
InChIInChI=1S/C23H24N2S/c1-4-15(3)16-6-8-17(9-7-16)21-12-13-22(26-21)18-10-11-19-20(14-18)25-23(5-2)24-19/h6-15H,4-5H2,1-3H3,(H,24,25)
InChIKeyWOCWACXUBPRBAK-UHFFFAOYSA-N
XLogP7.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
CID 59610419
2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
CID 82493436
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2-(2-ethyl-3H-benzimidazol-5-yl)aniline
CID 58381174
2-ethyl-6-[2-(5-propan-2-yl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 136594545
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 104501898
2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 126561262

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole?
The IUPAC name of 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole (CID 70831286) is 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole.
What is the SMILES notation for 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole?
The canonical SMILES for 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole is CCc1nc2ccc(-c3ccc(-c4ccc(C(C)CC)cc4)s3)cc2[nH]1.
What is the InChIKey of 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole?
The InChIKey is WOCWACXUBPRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S/c1-4-15(3)16-6-8-17(9-7-16)21-12-13-22(26-21)18-10-11-19-20(14-18)25-23(5-2)24-19/h6-15H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole?
6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole has a molecular weight of 360.53 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole is sourced from PubChem (CID 70831286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).