1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine

C19H28FN3O2 — CID 67208854

IUPAC1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(OC)OC)c1CN(C)C
InChIInChI=1S/C19H28FN3O2/c1-6-7-13-23-16(14-22(2)3)17(19(20,24-4)25-5)21-18(23)15-11-9-8-10-12-15/h8-12H,6-7,13-14H2,1-5H3
InChIKeyUNFWDCGELVUSFL-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.78
Rot. Bonds9

About 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine

1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 67208854) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID67208854
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(OC)OC)c1CN(C)C
InChIInChI=1S/C19H28FN3O2/c1-6-7-13-23-16(14-22(2)3)17(19(20,24-4)25-5)21-18(23)15-11-9-8-10-12-15/h8-12H,6-7,13-14H2,1-5H3
InChIKeyUNFWDCGELVUSFL-UHFFFAOYSA-N
XLogP3.78
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine (CID 67208854) is 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine is CCCCn1c(-c2ccccc2)nc(C(F)(OC)OC)c1CN(C)C.
What is the InChIKey of 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is UNFWDCGELVUSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-6-7-13-23-16(14-22(2)3)17(19(20,24-4)25-5)21-18(23)15-11-9-8-10-12-15/h8-12H,6-7,13-14H2,1-5H3.
What are the key properties of 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine?
1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 349.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 67208854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).