5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine

C12H15FN4 — CID 84796895

IUPAC5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CC1CCNC1
InChIInChI=1S/C12H15FN4/c13-9-1-2-11-10(5-9)16-12(14)17(11)7-8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H2,14,16)
InChIKeyICSMZIXGZVPMAB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.37
Rot. Bonds2

About 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine

5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine (PubChem CID 84796895) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
PubChem CID84796895
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1CC1CCNC1
InChIInChI=1S/C12H15FN4/c13-9-1-2-11-10(5-9)16-12(14)17(11)7-8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H2,14,16)
InChIKeyICSMZIXGZVPMAB-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
CID 62378397
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
2-amino-3-(pyrrolidin-3-ylmethyl)benzimidazol-4-ol
CID 84795466
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072
5-chloro-1-(thian-4-ylmethyl)benzimidazol-2-amine
CID 113487879
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993390
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine (CID 84796895) is 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(F)ccc2n1CC1CCNC1.
What is the InChIKey of 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is ICSMZIXGZVPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c13-9-1-2-11-10(5-9)16-12(14)17(11)7-8-3-4-15-6-8/h1-2,5,8,15H,3-4,6-7H2,(H2,14,16).
What are the key properties of 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine?
5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 84796895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).