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

C23H24N2S — CID 59610419

IUPAC2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
SMILESCC(C)c1ccc(-c2ccc(-c3ccc4nc(C(C)C)[nH]c4c3)s2)cc1
InChIInChI=1S/C23H24N2S/c1-14(2)16-5-7-17(8-6-16)21-11-12-22(26-21)18-9-10-19-20(13-18)25-23(24-19)15(3)4/h5-15H,1-4H3,(H,24,25)
InChIKeyZLSUVJRDTNMKKL-UHFFFAOYSA-N
MW360.53 g/mol
LogP7.21
Rot. Bonds4

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

2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole (PubChem CID 59610419) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
PubChem CID59610419
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
SMILESCC(C)c1ccc(-c2ccc(-c3ccc4nc(C(C)C)[nH]c4c3)s2)cc1
InChIInChI=1S/C23H24N2S/c1-14(2)16-5-7-17(8-6-16)21-11-12-22(26-21)18-9-10-19-20(13-18)25-23(24-19)15(3)4/h5-15H,1-4H3,(H,24,25)
InChIKeyZLSUVJRDTNMKKL-UHFFFAOYSA-N
XLogP7.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole?
The IUPAC name of 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole (CID 59610419) is 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole is CC(C)c1ccc(-c2ccc(-c3ccc4nc(C(C)C)[nH]c4c3)s2)cc1.
What is the InChIKey of 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole?
The InChIKey is ZLSUVJRDTNMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S/c1-14(2)16-5-7-17(8-6-16)21-11-12-22(26-21)18-9-10-19-20(13-18)25-23(24-19)15(3)4/h5-15H,1-4H3,(H,24,25).
What are the key properties of 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole?
2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole has a molecular weight of 360.53 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole is sourced from PubChem (CID 59610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).