1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole

C22H23N5O — CID 162272991

IUPAC1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole
SMILESCOc1cc(N2CN(C)c3ccccc32)nc(N2CN(C)c3ccccc32)c1
InChIInChI=1S/C22H23N5O/c1-24-14-26(19-10-6-4-8-17(19)24)21-12-16(28-3)13-22(23-21)27-15-25(2)18-9-5-7-11-20(18)27/h4-13H,14-15H2,1-3H3
InChIKeyXAZGILLTWGXJNJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole

1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole (PubChem CID 162272991) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole.

Molecular Properties

Compound Name1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole
PubChem CID162272991
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole
SMILESCOc1cc(N2CN(C)c3ccccc32)nc(N2CN(C)c3ccccc32)c1
InChIInChI=1S/C22H23N5O/c1-24-14-26(19-10-6-4-8-17(19)24)21-12-16(28-3)13-22(23-21)27-15-25(2)18-9-5-7-11-20(18)27/h4-13H,14-15H2,1-3H3
InChIKeyXAZGILLTWGXJNJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole?
The IUPAC name of 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole (CID 162272991) is 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole.
What is the SMILES notation for 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole?
The canonical SMILES for 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole is COc1cc(N2CN(C)c3ccccc32)nc(N2CN(C)c3ccccc32)c1.
What is the InChIKey of 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole?
The InChIKey is XAZGILLTWGXJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-24-14-26(19-10-6-4-8-17(19)24)21-12-16(28-3)13-22(23-21)27-15-25(2)18-9-5-7-11-20(18)27/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole?
1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole has a molecular weight of 373.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole is sourced from PubChem (CID 162272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).