5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C16H22BrN3 — CID 63144368

IUPAC5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(Br)ccc3n2CC)CCNC1
InChIInChI=1S/C16H22BrN3/c1-3-7-16(8-9-18-11-16)15-19-13-10-12(17)5-6-14(13)20(15)4-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyGHGMJEOAGOPDMK-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.85
Rot. Bonds4

About 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144368) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID63144368
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(Br)ccc3n2CC)CCNC1
InChIInChI=1S/C16H22BrN3/c1-3-7-16(8-9-18-11-16)15-19-13-10-12(17)5-6-14(13)20(15)4-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3
InChIKeyGHGMJEOAGOPDMK-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
CID 63144236
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
1-(5-bromo-1-ethylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61290098
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144666
5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977747
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291013
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
7-chloro-1-ethyl-2-(3-propylpiperidin-3-yl)benzimidazole
CID 63133897
5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
CID 63144452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 63144368) is 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3cc(Br)ccc3n2CC)CCNC1.
What is the InChIKey of 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is GHGMJEOAGOPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-7-16(8-9-18-11-16)15-19-13-10-12(17)5-6-14(13)20(15)4-2/h5-6,10,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 336.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).