6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole

C19H13N3S — CID 137248275

IUPAC6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
SMILESc1c[nH]c(-c2nc3ccc(-c4cc5ccccc5s4)cc3[nH]2)c1
InChIInChI=1S/C19H13N3S/c1-2-6-17-12(4-1)11-18(23-17)13-7-8-14-16(10-13)22-19(21-14)15-5-3-9-20-15/h1-11,20H,(H,21,22)
InChIKeyYLNAMPYDORQMLO-UHFFFAOYSA-N
MW315.40 g/mol
LogP5.44
Rot. Bonds2

About 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole

6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole (PubChem CID 137248275) has the molecular formula C19H13N3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
PubChem CID137248275
Molecular FormulaC19H13N3S
Molecular Weight315.40 g/mol
Exact Mass315.08
IUPAC Name6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
SMILESc1c[nH]c(-c2nc3ccc(-c4cc5ccccc5s4)cc3[nH]2)c1
InChIInChI=1S/C19H13N3S/c1-2-6-17-12(4-1)11-18(23-17)13-7-8-14-16(10-13)22-19(21-14)15-5-3-9-20-15/h1-11,20H,(H,21,22)
InChIKeyYLNAMPYDORQMLO-UHFFFAOYSA-N
XLogP5.44
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.40
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The IUPAC name of 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole (CID 137248275) is 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole is c1c[nH]c(-c2nc3ccc(-c4cc5ccccc5s4)cc3[nH]2)c1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The InChIKey is YLNAMPYDORQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S/c1-2-6-17-12(4-1)11-18(23-17)13-7-8-14-16(10-13)22-19(21-14)15-5-3-9-20-15/h1-11,20H,(H,21,22).
What are the key properties of 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole has a molecular weight of 315.40 g/mol, XLogP of 5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 137248275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).