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

C13H10FN3 — CID 116881914

IUPAC1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CC1
InChIInChI=1S/C13H10FN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyLUQZSUGBBXWLNY-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.77
Rot. Bonds2

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

1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (PubChem CID 116881914) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
PubChem CID116881914
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CC1
InChIInChI=1S/C13H10FN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyLUQZSUGBBXWLNY-UHFFFAOYSA-N
XLogP2.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.77
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]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (CID 116881914) is 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is N#CC1(c2ncc(-c3cccc(F)c3)[nH]2)CC1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is LUQZSUGBBXWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-10-3-1-2-9(6-10)11-7-16-12(17-11)13(8-15)4-5-13/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.77, 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]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116881914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).