6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C15H20FN3 — CID 55164403

IUPAC6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3ccc(F)cc3n2C)CCNC1
InChIInChI=1S/C15H20FN3/c1-3-6-15(7-8-17-10-15)14-18-12-5-4-11(16)9-13(12)19(14)2/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyRPNSKFRKTRFPDM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.74
Rot. Bonds3

About 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 55164403) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID55164403
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3ccc(F)cc3n2C)CCNC1
InChIInChI=1S/C15H20FN3/c1-3-6-15(7-8-17-10-15)14-18-12-5-4-11(16)9-13(12)19(14)2/h4-5,9,17H,3,6-8,10H2,1-2H3
InChIKeyRPNSKFRKTRFPDM-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144666
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983234
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
CID 63134021
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
CID 104595977
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
CID 63125249
5-bromo-1-ethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144368

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 55164403) is 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3ccc(F)cc3n2C)CCNC1.
What is the InChIKey of 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is RPNSKFRKTRFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-6-15(7-8-17-10-15)14-18-12-5-4-11(16)9-13(12)19(14)2/h4-5,9,17H,3,6-8,10H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 55164403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).