1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

C14H12FN3 — CID 116881851

IUPAC1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESCc1cc(-c2cnc(C3(C#N)CC3)[nH]2)ccc1F
InChIInChI=1S/C14H12FN3/c1-9-6-10(2-3-11(9)15)12-7-17-13(18-12)14(8-16)4-5-14/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyZFBLBKGJQPEUPC-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.08
Rot. Bonds2

About 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (PubChem CID 116881851) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
PubChem CID116881851
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESCc1cc(-c2cnc(C3(C#N)CC3)[nH]2)ccc1F
InChIInChI=1S/C14H12FN3/c1-9-6-10(2-3-11(9)15)12-7-17-13(18-12)14(8-16)4-5-14/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyZFBLBKGJQPEUPC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (CID 116881851) is 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is Cc1cc(-c2cnc(C3(C#N)CC3)[nH]2)ccc1F.
What is the InChIKey of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is ZFBLBKGJQPEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-9-6-10(2-3-11(9)15)12-7-17-13(18-12)14(8-16)4-5-14/h2-3,6-7H,4-5H2,1H3,(H,17,18).
What are the key properties of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116881851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).