1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole

C19H13N5 — CID 126669613

IUPAC1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole
SMILESc1cc(-c2ccc3ncn(-c4ccc5nc[nH]c5c4)c3c2)ccn1
InChIInChI=1S/C19H13N5/c1-3-17-19(9-14(1)13-5-7-20-8-6-13)24(12-23-17)15-2-4-16-18(10-15)22-11-21-16/h1-12H,(H,21,22)
InChIKeyFRERQBMRTODFBH-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.96
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole

1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole (PubChem CID 126669613) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole
PubChem CID126669613
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole
SMILESc1cc(-c2ccc3ncn(-c4ccc5nc[nH]c5c4)c3c2)ccn1
InChIInChI=1S/C19H13N5/c1-3-17-19(9-14(1)13-5-7-20-8-6-13)24(12-23-17)15-2-4-16-18(10-15)22-11-21-16/h1-12H,(H,21,22)
InChIKeyFRERQBMRTODFBH-UHFFFAOYSA-N
XLogP3.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole (CID 126669613) is 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole is c1cc(-c2ccc3ncn(-c4ccc5nc[nH]c5c4)c3c2)ccn1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole?
The InChIKey is FRERQBMRTODFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-3-17-19(9-14(1)13-5-7-20-8-6-13)24(12-23-17)15-2-4-16-18(10-15)22-11-21-16/h1-12H,(H,21,22).
What are the key properties of 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole?
1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole has a molecular weight of 311.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 126669613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).