2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole

C14H19N3 — CID 106977720

IUPAC2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3ccccc3[nH]2)CCCN1
InChIInChI=1S/C14H19N3/c1-2-8-14(9-5-10-15-14)13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,17)
InChIKeyWJYCMLZVVJWQHX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole

2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole (PubChem CID 106977720) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
PubChem CID106977720
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3ccccc3[nH]2)CCCN1
InChIInChI=1S/C14H19N3/c1-2-8-14(9-5-10-15-14)13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,17)
InChIKeyWJYCMLZVVJWQHX-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
2-(2-methylazetidin-2-yl)-1H-benzimidazole
CID 141153075
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
5-bromo-2-(2-ethylpyrrolidin-2-yl)-6-fluoro-1H-benzimidazole
CID 83070190
3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole
CID 106979130
1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 107330715
2-(2-ethylpyrrolidin-2-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 83070344
1-methyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467391
2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 106977815
1-ethyl-5-methyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977729

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole (CID 106977720) is 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole is CCCC1(c2nc3ccccc3[nH]2)CCCN1.
What is the InChIKey of 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole?
The InChIKey is WJYCMLZVVJWQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-8-14(9-5-10-15-14)13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,15H,2,5,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole?
2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 106977720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).