6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole

C15H20FN3 — CID 106983234

IUPAC6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3ccc(F)cc3n2C)CCNC1
InChIInChI=1S/C15H20FN3/c1-10(2)15(6-7-17-9-15)14-18-12-5-4-11(16)8-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyNNFAGOCXZDJKGU-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.60
Rot. Bonds2

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

6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (PubChem CID 106983234) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
PubChem CID106983234
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
SMILESCC(C)C1(c2nc3ccc(F)cc3n2C)CCNC1
InChIInChI=1S/C15H20FN3/c1-10(2)15(6-7-17-9-15)14-18-12-5-4-11(16)8-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyNNFAGOCXZDJKGU-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
CID 104595977
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
1-tert-butyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983190
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
1-propan-2-yl-2-(3-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-c]pyridine
CID 106983249
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
CID 63134021
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole (CID 106983234) is 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole is CC(C)C1(c2nc3ccc(F)cc3n2C)CCNC1.
What is the InChIKey of 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
The InChIKey is NNFAGOCXZDJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)15(6-7-17-9-15)14-18-12-5-4-11(16)8-13(12)19(14)3/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole?
6-fluoro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 2.60, 2 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-propan-2-ylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 106983234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).