5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole

C15H20BrN3 — CID 63144452

IUPAC5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2(C)CCNC2)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-10(2)19-13-5-4-11(16)8-12(13)18-14(19)15(3)6-7-17-9-15/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyIUJCJFMNIQGILC-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole

5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole (PubChem CID 63144452) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
PubChem CID63144452
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2(C)CCNC2)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrN3/c1-10(2)19-13-5-4-11(16)8-12(13)18-14(19)15(3)6-7-17-9-15/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyIUJCJFMNIQGILC-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-2-methyl-1H-1,3-benzodiazole
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3-bromo-N-[4-(2-ethyl-6-methyl-benzimidazol-1-yl)butyl]-4-methyl-aniline
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CID 122190778
5-(1-Methyl-1H-benzoimidazol-2-yl)-pentylamine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole (CID 63144452) is 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole is CC(C)n1c(C2(C)CCNC2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole?
The InChIKey is IUJCJFMNIQGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)19-13-5-4-11(16)8-12(13)18-14(19)15(3)6-7-17-9-15/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole?
5-bromo-2-(3-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole has a molecular weight of 322.25 g/mol, XLogP of 3.63, 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-methylpyrrolidin-3-yl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 63144452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).