4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole

C10H17FN2 — CID 176773697

IUPAC4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole
SMILESCc1nc(F)c(C(C)C)n1C(C)C
InChIInChI=1S/C10H17FN2/c1-6(2)9-10(11)12-8(5)13(9)7(3)4/h6-7H,1-5H3
InChIKeyHDNIGWXXCPRPLA-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.03
Rot. Bonds2

About 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole

4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole (PubChem CID 176773697) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole
PubChem CID176773697
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole
SMILESCc1nc(F)c(C(C)C)n1C(C)C
InChIInChI=1S/C10H17FN2/c1-6(2)9-10(11)12-8(5)13(9)7(3)4/h6-7H,1-5H3
InChIKeyHDNIGWXXCPRPLA-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole?
The IUPAC name of 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole (CID 176773697) is 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole.
What is the SMILES notation for 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole?
The canonical SMILES for 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole is Cc1nc(F)c(C(C)C)n1C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole?
The InChIKey is HDNIGWXXCPRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-6(2)9-10(11)12-8(5)13(9)7(3)4/h6-7H,1-5H3.
What are the key properties of 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole?
4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole has a molecular weight of 184.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 176773697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).