2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole

C23H16N4S2 — CID 4138578

IUPAC2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
SMILESc1csc(-c2nc3ccc(Cc4ccc5nc(-c6cccs6)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C23H16N4S2/c1-3-20(28-9-1)22-24-16-7-5-14(12-18(16)26-22)11-15-6-8-17-19(13-15)27-23(25-17)21-4-2-10-29-21/h1-10,12-13H,11H2,(H,24,26)(H,25,27)
InChIKeyPUUVMUQEUIULHP-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.49
Rot. Bonds4

About 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole

2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole (PubChem CID 4138578) has the molecular formula C23H16N4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
PubChem CID4138578
Molecular FormulaC23H16N4S2
Molecular Weight412.54 g/mol
Exact Mass412.08
IUPAC Name2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole
SMILESc1csc(-c2nc3ccc(Cc4ccc5nc(-c6cccs6)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C23H16N4S2/c1-3-20(28-9-1)22-24-16-7-5-14(12-18(16)26-22)11-15-6-8-17-19(13-15)27-23(25-17)21-4-2-10-29-21/h1-10,12-13H,11H2,(H,24,26)(H,25,27)
InChIKeyPUUVMUQEUIULHP-UHFFFAOYSA-N
XLogP6.49
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole (CID 4138578) is 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole is c1csc(-c2nc3ccc(Cc4ccc5nc(-c6cccs6)[nH]c5c4)cc3[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole?
The InChIKey is PUUVMUQEUIULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4S2/c1-3-20(28-9-1)22-24-16-7-5-14(12-18(16)26-22)11-15-6-8-17-19(13-15)27-23(25-17)21-4-2-10-29-21/h1-10,12-13H,11H2,(H,24,26)(H,25,27).
What are the key properties of 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole?
2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole has a molecular weight of 412.54 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-6-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 4138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).