5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole

C16H20BrN3 — CID 83058754

IUPAC5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
SMILESCCC1(c2nc3cc(Br)ccc3n2C2CC2)CCCN1
InChIInChI=1S/C16H20BrN3/c1-2-16(8-3-9-18-16)15-19-13-10-11(17)4-7-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3
InChIKeyBNQUMBZTYAZNOH-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.12
Rot. Bonds3

About 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole

5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole (PubChem CID 83058754) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
PubChem CID83058754
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
SMILESCCC1(c2nc3cc(Br)ccc3n2C2CC2)CCCN1
InChIInChI=1S/C16H20BrN3/c1-2-16(8-3-9-18-16)15-19-13-10-11(17)4-7-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3
InChIKeyBNQUMBZTYAZNOH-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole (CID 83058754) is 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole is CCC1(c2nc3cc(Br)ccc3n2C2CC2)CCCN1.
What is the InChIKey of 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
The InChIKey is BNQUMBZTYAZNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-16(8-3-9-18-16)15-19-13-10-11(17)4-7-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3.
What are the key properties of 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole?
5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole has a molecular weight of 334.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 83058754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).