5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole

C14H18BrN3 — CID 55230910

IUPAC5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
SMILESCCn1c(C2CNCC2C)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-3-18-13-5-4-10(15)6-12(13)17-14(18)11-8-16-7-9(11)2/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyHCDVJIOGHBAXLS-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.14
Rot. Bonds2

About 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole

5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole (PubChem CID 55230910) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
PubChem CID55230910
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
SMILESCCn1c(C2CNCC2C)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-3-18-13-5-4-10(15)6-12(13)17-14(18)11-8-16-7-9(11)2/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyHCDVJIOGHBAXLS-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
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5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017
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2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
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CID 61290098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole (CID 55230910) is 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole is CCn1c(C2CNCC2C)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
The InChIKey is HCDVJIOGHBAXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-18-13-5-4-10(15)6-12(13)17-14(18)11-8-16-7-9(11)2/h4-6,9,11,16H,3,7-8H2,1-2H3.
What are the key properties of 5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole has a molecular weight of 308.22 g/mol, XLogP of 3.14, 2 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-(4-methylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 55230910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).