1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole

C21H17N5 — CID 53383483

IUPAC1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(c1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5/c1-14-23-18-10-4-5-11-19(18)26(14)20(15-7-6-12-22-13-15)21-24-16-8-2-3-9-17(16)25-21/h2-13,20H,1H3,(H,24,25)
InChIKeyIHHUOCNDKRMZIU-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.25
Rot. Bonds3

About 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole

1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole (PubChem CID 53383483) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole
PubChem CID53383483
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(c1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5/c1-14-23-18-10-4-5-11-19(18)26(14)20(15-7-6-12-22-13-15)21-24-16-8-2-3-9-17(16)25-21/h2-13,20H,1H3,(H,24,25)
InChIKeyIHHUOCNDKRMZIU-UHFFFAOYSA-N
XLogP4.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole (CID 53383483) is 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1C(c1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole?
The InChIKey is IHHUOCNDKRMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-14-23-18-10-4-5-11-19(18)26(14)20(15-7-6-12-22-13-15)21-24-16-8-2-3-9-17(16)25-21/h2-13,20H,1H3,(H,24,25).
What are the key properties of 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole?
1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole has a molecular weight of 339.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 53383483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).