2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole

C18H13N5 — CID 12665575

IUPAC2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)[nH]3)nc2c1
InChIInChI=1S/C18H13N5/c1-2-6-12-11(5-1)20-17(21-12)15-9-10-16(19-15)18-22-13-7-3-4-8-14(13)23-18/h1-10,19H,(H,20,21)(H,22,23)
InChIKeyISAJYSXFKZVSTQ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.10
Rot. Bonds2

About 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole

2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole (PubChem CID 12665575) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole
PubChem CID12665575
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)[nH]3)nc2c1
InChIInChI=1S/C18H13N5/c1-2-6-12-11(5-1)20-17(21-12)15-9-10-16(19-15)18-22-13-7-3-4-8-14(13)23-18/h1-10,19H,(H,20,21)(H,22,23)
InChIKeyISAJYSXFKZVSTQ-UHFFFAOYSA-N
XLogP4.10
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole (CID 12665575) is 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)[nH]3)nc2c1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole?
The InChIKey is ISAJYSXFKZVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-6-12-11(5-1)20-17(21-12)15-9-10-16(19-15)18-22-13-7-3-4-8-14(13)23-18/h1-10,19H,(H,20,21)(H,22,23).
What are the key properties of 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole?
2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole has a molecular weight of 299.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 12665575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).