4-(4-methoxy-3-pyridinyl)-1H-benzimidazole

C13H11N3O — CID 66835930

IUPAC4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ccncc1-c1cccc2[nH]cnc12
InChIInChI=1S/C13H11N3O/c1-17-12-5-6-14-7-10(12)9-3-2-4-11-13(9)16-8-15-11/h2-8H,1H3,(H,15,16)
InChIKeyRIQLLQSDZOKBJM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole

4-(4-methoxy-3-pyridinyl)-1H-benzimidazole (PubChem CID 66835930) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
PubChem CID66835930
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ccncc1-c1cccc2[nH]cnc12
InChIInChI=1S/C13H11N3O/c1-17-12-5-6-14-7-10(12)9-3-2-4-11-13(9)16-8-15-11/h2-8H,1H3,(H,15,16)
InChIKeyRIQLLQSDZOKBJM-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole (CID 66835930) is 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole is COc1ccncc1-c1cccc2[nH]cnc12.
What is the InChIKey of 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole?
The InChIKey is RIQLLQSDZOKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-12-5-6-14-7-10(12)9-3-2-4-11-13(9)16-8-15-11/h2-8H,1H3,(H,15,16).
What are the key properties of 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole?
4-(4-methoxy-3-pyridinyl)-1H-benzimidazole has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 66835930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).