6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole

C13H16FN3 — CID 84796143

IUPAC6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCc1nc2ccc(F)cc2n1CC1CCNC1
InChIInChI=1S/C13H16FN3/c1-9-16-12-3-2-11(14)6-13(12)17(9)8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyIKPWHOJGTXUVTK-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.09
Rot. Bonds2

About 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole

6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole (PubChem CID 84796143) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
PubChem CID84796143
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
SMILESCc1nc2ccc(F)cc2n1CC1CCNC1
InChIInChI=1S/C13H16FN3/c1-9-16-12-3-2-11(14)6-13(12)17(9)8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyIKPWHOJGTXUVTK-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
CID 84796895
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
CID 82149708
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
CID 134083712
1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
CID 58459395
2-methyl-1-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridine
CID 10847078
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
CID 134083751
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The IUPAC name of 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole (CID 84796143) is 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole is Cc1nc2ccc(F)cc2n1CC1CCNC1.
What is the InChIKey of 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole?
The InChIKey is IKPWHOJGTXUVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-16-12-3-2-11(14)6-13(12)17(9)8-10-4-5-15-7-10/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole?
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole has a molecular weight of 233.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84796143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).