6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole

C20H24N4O — CID 11772050

IUPAC6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)[nH]c3c2)cn1
InChIInChI=1S/C20H24N4O/c1-14-4-3-10-24(14)11-9-19-22-17-7-5-15(12-18(17)23-19)16-6-8-20(25-2)21-13-16/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyNYUIBXQUEIKJIY-CQSZACIVSA-N
MW336.44 g/mol
LogP3.66
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole

6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole (PubChem CID 11772050) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole
PubChem CID11772050
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)[nH]c3c2)cn1
InChIInChI=1S/C20H24N4O/c1-14-4-3-10-24(14)11-9-19-22-17-7-5-15(12-18(17)23-19)16-6-8-20(25-2)21-13-16/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyNYUIBXQUEIKJIY-CQSZACIVSA-N
XLogP3.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole (CID 11772050) is 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole is COc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)[nH]c3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole?
The InChIKey is NYUIBXQUEIKJIY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-4-3-10-24(14)11-9-19-22-17-7-5-15(12-18(17)23-19)16-6-8-20(25-2)21-13-16/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole?
6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 11772050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).