fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone

C14H16FN3O — CID 167484753

IUPACfluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
SMILESFc1ccccc1.O=C(c1cnc[nH]1)N1CCCC1
InChIInChI=1S/C8H11N3O.C6H5F/c12-8(7-5-9-6-10-7)11-3-1-2-4-11;7-6-4-2-1-3-5-6/h5-6H,1-4H2,(H,9,10);1-5H
InChIKeyWIUNHERLXYIQLD-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.47
Rot. Bonds1

About fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone

fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone (PubChem CID 167484753) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namefluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
PubChem CID167484753
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Namefluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
SMILESFc1ccccc1.O=C(c1cnc[nH]1)N1CCCC1
InChIInChI=1S/C8H11N3O.C6H5F/c12-8(7-5-9-6-10-7)11-3-1-2-4-11;7-6-4-2-1-3-5-6/h5-6H,1-4H2,(H,9,10);1-5H
InChIKeyWIUNHERLXYIQLD-UHFFFAOYSA-N
XLogP2.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone (CID 167484753) is fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone is Fc1ccccc1.O=C(c1cnc[nH]1)N1CCCC1.
What is the InChIKey of fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone?
The InChIKey is WIUNHERLXYIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C6H5F/c12-8(7-5-9-6-10-7)11-3-1-2-4-11;7-6-4-2-1-3-5-6/h5-6H,1-4H2,(H,9,10);1-5H.
What are the key properties of fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone?
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone has a molecular weight of 261.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 167484753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).