2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole

C15H21FN2 — CID 167046684

IUPAC2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole
SMILESCCCC1CN=C(c2ccc(C(C)F)cc2)N1C
InChIInChI=1S/C15H21FN2/c1-4-5-14-10-17-15(18(14)3)13-8-6-12(7-9-13)11(2)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyVQSUFWJPQMHDRM-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.58
Rot. Bonds4

About 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole

2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole (PubChem CID 167046684) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole
PubChem CID167046684
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole
SMILESCCCC1CN=C(c2ccc(C(C)F)cc2)N1C
InChIInChI=1S/C15H21FN2/c1-4-5-14-10-17-15(18(14)3)13-8-6-12(7-9-13)11(2)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyVQSUFWJPQMHDRM-UHFFFAOYSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole?
The IUPAC name of 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole (CID 167046684) is 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole is CCCC1CN=C(c2ccc(C(C)F)cc2)N1C.
What is the InChIKey of 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole?
The InChIKey is VQSUFWJPQMHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-5-14-10-17-15(18(14)3)13-8-6-12(7-9-13)11(2)16/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole?
2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole has a molecular weight of 248.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)phenyl]-1-methyl-5-propyl-4,5-dihydroimidazole is sourced from PubChem (CID 167046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).