1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole

C23H26N6 — CID 138466005

IUPAC1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole
SMILESCCn1ccc(Cn2c(-c3ccc(N4CCCC4C)nc3)nc3ccccc32)n1
InChIInChI=1S/C23H26N6/c1-3-27-14-12-19(26-27)16-29-21-9-5-4-8-20(21)25-23(29)18-10-11-22(24-15-18)28-13-6-7-17(28)2/h4-5,8-12,14-15,17H,3,6-7,13,16H2,1-2H3
InChIKeyJLVXUCGPOKJXSG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.35
Rot. Bonds5

About 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole

1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole (PubChem CID 138466005) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole
PubChem CID138466005
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole
SMILESCCn1ccc(Cn2c(-c3ccc(N4CCCC4C)nc3)nc3ccccc32)n1
InChIInChI=1S/C23H26N6/c1-3-27-14-12-19(26-27)16-29-21-9-5-4-8-20(21)25-23(29)18-10-11-22(24-15-18)28-13-6-7-17(28)2/h4-5,8-12,14-15,17H,3,6-7,13,16H2,1-2H3
InChIKeyJLVXUCGPOKJXSG-UHFFFAOYSA-N
XLogP4.35
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole?
The IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole (CID 138466005) is 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole.
What is the SMILES notation for 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole?
The canonical SMILES for 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole is CCn1ccc(Cn2c(-c3ccc(N4CCCC4C)nc3)nc3ccccc32)n1.
What is the InChIKey of 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole?
The InChIKey is JLVXUCGPOKJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-3-27-14-12-19(26-27)16-29-21-9-5-4-8-20(21)25-23(29)18-10-11-22(24-15-18)28-13-6-7-17(28)2/h4-5,8-12,14-15,17H,3,6-7,13,16H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole?
1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-3-yl)methyl]-2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]benzimidazole is sourced from PubChem (CID 138466005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).