2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile

C12H10FN3 — CID 116834529

IUPAC2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESCc1cc(C(C#N)c2ncc[nH]2)ccc1F
InChIInChI=1S/C12H10FN3/c1-8-6-9(2-3-11(8)13)10(7-14)12-15-4-5-16-12/h2-6,10H,1H3,(H,15,16)
InChIKeySGIUFTFTHUANCP-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.51
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile

2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile (PubChem CID 116834529) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
PubChem CID116834529
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESCc1cc(C(C#N)c2ncc[nH]2)ccc1F
InChIInChI=1S/C12H10FN3/c1-8-6-9(2-3-11(8)13)10(7-14)12-15-4-5-16-12/h2-6,10H,1H3,(H,15,16)
InChIKeySGIUFTFTHUANCP-UHFFFAOYSA-N
XLogP2.51
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile (CID 116834529) is 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile is Cc1cc(C(C#N)c2ncc[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The InChIKey is SGIUFTFTHUANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-8-6-9(2-3-11(8)13)10(7-14)12-15-4-5-16-12/h2-6,10H,1H3,(H,15,16).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile has a molecular weight of 215.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile is sourced from PubChem (CID 116834529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).