1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole

C18H23N5 — CID 71859415

IUPAC1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c(C2CCCN2CCn2cccn2)nc2ccccc21
InChIInChI=1S/C18H23N5/c1-2-23-16-8-4-3-7-15(16)20-18(23)17-9-5-11-21(17)13-14-22-12-6-10-19-22/h3-4,6-8,10,12,17H,2,5,9,11,13-14H2,1H3
InChIKeyWSHZNNWUQJXSNU-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.09
Rot. Bonds5

About 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole

1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole (PubChem CID 71859415) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
PubChem CID71859415
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c(C2CCCN2CCn2cccn2)nc2ccccc21
InChIInChI=1S/C18H23N5/c1-2-23-16-8-4-3-7-15(16)20-18(23)17-9-5-11-21(17)13-14-22-12-6-10-19-22/h3-4,6-8,10,12,17H,2,5,9,11,13-14H2,1H3
InChIKeyWSHZNNWUQJXSNU-UHFFFAOYSA-N
XLogP3.09
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
7-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71855460
7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96997339
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
2-(2,3-dihydro-1H-indol-2-yl)-1-ethylbenzimidazole
CID 43325776

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole (CID 71859415) is 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole is CCn1c(C2CCCN2CCn2cccn2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole?
The InChIKey is WSHZNNWUQJXSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-23-16-8-4-3-7-15(16)20-18(23)17-9-5-11-21(17)13-14-22-12-6-10-19-22/h3-4,6-8,10,12,17H,2,5,9,11,13-14H2,1H3.
What are the key properties of 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole?
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole has a molecular weight of 309.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 71859415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).