5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole

C14H18BrN3 — CID 63144326

IUPAC5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
SMILESCCC1(c2nc3cc(Br)ccc3n2C)CCNC1
InChIInChI=1S/C14H18BrN3/c1-3-14(6-7-16-9-14)13-17-11-8-10(15)4-5-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyFPILVRWVMZMZHP-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole

5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole (PubChem CID 63144326) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
PubChem CID63144326
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
SMILESCCC1(c2nc3cc(Br)ccc3n2C)CCNC1
InChIInChI=1S/C14H18BrN3/c1-3-14(6-7-16-9-14)13-17-11-8-10(15)4-5-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyFPILVRWVMZMZHP-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The IUPAC name of 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole (CID 63144326) is 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The canonical SMILES for 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole is CCC1(c2nc3cc(Br)ccc3n2C)CCNC1.
What is the InChIKey of 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
The InChIKey is FPILVRWVMZMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-14(6-7-16-9-14)13-17-11-8-10(15)4-5-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole?
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole has a molecular weight of 308.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole is sourced from PubChem (CID 63144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).