6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole

C15H16FN5 — CID 70716486

IUPAC6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3Cc3cnc[nH]3)[nH]c2c1
InChIInChI=1S/C15H16FN5/c16-10-3-4-12-13(6-10)20-15(19-12)14-2-1-5-21(14)8-11-7-17-9-18-11/h3-4,6-7,9,14H,1-2,5,8H2,(H,17,18)(H,19,20)
InChIKeyFRVDVEYJNJDVKS-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.76
Rot. Bonds3

About 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole

6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 70716486) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID70716486
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3Cc3cnc[nH]3)[nH]c2c1
InChIInChI=1S/C15H16FN5/c16-10-3-4-12-13(6-10)20-15(19-12)14-2-1-5-21(14)8-11-7-17-9-18-11/h3-4,6-7,9,14H,1-2,5,8H2,(H,17,18)(H,19,20)
InChIKeyFRVDVEYJNJDVKS-UHFFFAOYSA-N
XLogP2.76
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole (CID 70716486) is 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole is Fc1ccc2nc(C3CCCN3Cc3cnc[nH]3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is FRVDVEYJNJDVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c16-10-3-4-12-13(6-10)20-15(19-12)14-2-1-5-21(14)8-11-7-17-9-18-11/h3-4,6-7,9,14H,1-2,5,8H2,(H,17,18)(H,19,20).
What are the key properties of 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole?
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 285.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 70716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).