1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

C14H12FN3 — CID 116882265

IUPAC1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1
InChIInChI=1S/C14H12FN3/c15-11-4-1-3-10(7-11)12-8-17-13(18-12)14(9-16)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,17,18)
InChIKeySHNMDHUDOBMLOK-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.16
Rot. Bonds2

About 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (PubChem CID 116882265) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
PubChem CID116882265
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1
InChIInChI=1S/C14H12FN3/c15-11-4-1-3-10(7-11)12-8-17-13(18-12)14(9-16)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,17,18)
InChIKeySHNMDHUDOBMLOK-UHFFFAOYSA-N
XLogP3.16
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (CID 116882265) is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is N#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CCC1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is SHNMDHUDOBMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-4-1-3-10(7-11)12-8-17-13(18-12)14(9-16)5-2-6-14/h1,3-4,7-8H,2,5-6H2,(H,17,18).
What are the key properties of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).