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

C22H24N6 — CID 166629760

IUPAC1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole
SMILESCCn1ccc(Cn2c(-c3ccc(N4CCCC4)nc3)nc3ccccc32)n1
InChIInChI=1S/C22H24N6/c1-2-27-14-11-18(25-27)16-28-20-8-4-3-7-19(20)24-22(28)17-9-10-21(23-15-17)26-12-5-6-13-26/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3
InChIKeyGRWMIMAJSWOCHB-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.96
Rot. Bonds5

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

1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole (PubChem CID 166629760) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole
PubChem CID166629760
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole
SMILESCCn1ccc(Cn2c(-c3ccc(N4CCCC4)nc3)nc3ccccc32)n1
InChIInChI=1S/C22H24N6/c1-2-27-14-11-18(25-27)16-28-20-8-4-3-7-19(20)24-22(28)17-9-10-21(23-15-17)26-12-5-6-13-26/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3
InChIKeyGRWMIMAJSWOCHB-UHFFFAOYSA-N
XLogP3.96
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.96
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-pyrrolidin-1-yl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole (CID 166629760) is 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole is CCn1ccc(Cn2c(-c3ccc(N4CCCC4)nc3)nc3ccccc32)n1.
What is the InChIKey of 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole?
The InChIKey is GRWMIMAJSWOCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-2-27-14-11-18(25-27)16-28-20-8-4-3-7-19(20)24-22(28)17-9-10-21(23-15-17)26-12-5-6-13-26/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole?
1-[(1-ethylpyrazol-3-yl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)benzimidazole has a molecular weight of 372.48 g/mol, XLogP of 3.96, 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-pyrrolidin-1-yl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 166629760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).