4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile

C15H18FN3 — CID 142356318

IUPAC4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile
SMILESCCC(C)C1C(c2ccc(C#N)cc2F)N=CN1C
InChIInChI=1S/C15H18FN3/c1-4-10(2)15-14(18-9-19(15)3)12-6-5-11(8-17)7-13(12)16/h5-7,9-10,14-15H,4H2,1-3H3
InChIKeyHCIJFSKADLZRQJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.13
Rot. Bonds3

About 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile

4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile (PubChem CID 142356318) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile
PubChem CID142356318
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile
SMILESCCC(C)C1C(c2ccc(C#N)cc2F)N=CN1C
InChIInChI=1S/C15H18FN3/c1-4-10(2)15-14(18-9-19(15)3)12-6-5-11(8-17)7-13(12)16/h5-7,9-10,14-15H,4H2,1-3H3
InChIKeyHCIJFSKADLZRQJ-UHFFFAOYSA-N
XLogP3.13
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 53329953
CID 53329953
CID 91166266
CID 91166266
CID 91457004
CID 91457004
CID 123711452
CID 123711452
CID 123986457
CID 123986457
CID 141798769
CID 141798769
CID 142827741
CID 142827741
CID 156040519
CID 156040519
CID 167046684
CID 167046684
CID 11240893
CID 11240893
CID 53329954
CID 53329954
CID 62885935
CID 62885935

Frequently Asked Questions

What is the IUPAC name of 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile (CID 142356318) is 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile is CCC(C)C1C(c2ccc(C#N)cc2F)N=CN1C.
What is the InChIKey of 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile?
The InChIKey is HCIJFSKADLZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-4-10(2)15-14(18-9-19(15)3)12-6-5-11(8-17)7-13(12)16/h5-7,9-10,14-15H,4H2,1-3H3.
What are the key properties of 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile?
4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butan-2-yl-1-methyl-4,5-dihydroimidazol-4-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 142356318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).