6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole

C18H14N2S — CID 175227051

IUPAC6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
SMILESCc1cc(-c2ccc(-c3ccc4nc[nH]c4c3)cc2)cs1
InChIInChI=1S/C18H14N2S/c1-12-8-16(10-21-12)14-4-2-13(3-5-14)15-6-7-17-18(9-15)20-11-19-17/h2-11H,1H3,(H,19,20)
InChIKeyXUOVFVPFKAMPLN-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.27
Rot. Bonds2

About 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole

6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole (PubChem CID 175227051) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
PubChem CID175227051
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
SMILESCc1cc(-c2ccc(-c3ccc4nc[nH]c4c3)cc2)cs1
InChIInChI=1S/C18H14N2S/c1-12-8-16(10-21-12)14-4-2-13(3-5-14)15-6-7-17-18(9-15)20-11-19-17/h2-11H,1H3,(H,19,20)
InChIKeyXUOVFVPFKAMPLN-UHFFFAOYSA-N
XLogP5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole (CID 175227051) is 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole is Cc1cc(-c2ccc(-c3ccc4nc[nH]c4c3)cc2)cs1.
What is the InChIKey of 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole?
The InChIKey is XUOVFVPFKAMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-12-8-16(10-21-12)14-4-2-13(3-5-14)15-6-7-17-18(9-15)20-11-19-17/h2-11H,1H3,(H,19,20).
What are the key properties of 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole?
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole has a molecular weight of 290.39 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 175227051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).