N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide

C12H20FN3O — CID 58213383

IUPACN-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(F)Cn1cnc(CCNC(=O)C(C)C)c1
InChIInChI=1S/C12H20FN3O/c1-9(2)12(17)14-5-4-11-7-16(8-15-11)6-10(3)13/h7-10H,4-6H2,1-3H3,(H,14,17)
InChIKeyRRKMWWBXAXQGPD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.56
Rot. Bonds6

About N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide

N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide (PubChem CID 58213383) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide
PubChem CID58213383
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC NameN-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(F)Cn1cnc(CCNC(=O)C(C)C)c1
InChIInChI=1S/C12H20FN3O/c1-9(2)12(17)14-5-4-11-7-16(8-15-11)6-10(3)13/h7-10H,4-6H2,1-3H3,(H,14,17)
InChIKeyRRKMWWBXAXQGPD-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide (CID 58213383) is N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide is CC(F)Cn1cnc(CCNC(=O)C(C)C)c1.
What is the InChIKey of N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is RRKMWWBXAXQGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-9(2)12(17)14-5-4-11-7-16(8-15-11)6-10(3)13/h7-10H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide?
N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 241.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 58213383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).