5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole

C17H24BrN3 — CID 106977747

IUPAC5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
SMILESCCCn1c(C2(CCC)CCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrN3/c1-3-8-17(9-5-10-19-17)16-20-14-12-13(18)6-7-15(14)21(16)11-4-2/h6-7,12,19H,3-5,8-11H2,1-2H3
InChIKeyGRMSLOFYRANAMS-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.59
Rot. Bonds5

About 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole

5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole (PubChem CID 106977747) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
PubChem CID106977747
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
SMILESCCCn1c(C2(CCC)CCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C17H24BrN3/c1-3-8-17(9-5-10-19-17)16-20-14-12-13(18)6-7-15(14)21(16)11-4-2/h6-7,12,19H,3-5,8-11H2,1-2H3
InChIKeyGRMSLOFYRANAMS-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977729
1-(5-bromo-1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291013
5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83058754
1-(5-bromo-1-propylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 63494549
5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83070865
5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144368
6-bromo-2-(2-propylpyrrolidin-2-yl)-1,3-benzothiazole
CID 106977824
5-methyl-2-(2-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 104595944
ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480039
1-(5-bromo-1-ethylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61290098
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole (CID 106977747) is 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole is CCCn1c(C2(CCC)CCCN2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole?
The InChIKey is GRMSLOFYRANAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-3-8-17(9-5-10-19-17)16-20-14-12-13(18)6-7-15(14)21(16)11-4-2/h6-7,12,19H,3-5,8-11H2,1-2H3.
What are the key properties of 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole?
5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole has a molecular weight of 350.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propyl-2-(2-propylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 106977747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).