1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine

C13H16FN3 — CID 21061674

IUPAC1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(-n2ccnc2CN(C)C)cc1F
InChIInChI=1S/C13H16FN3/c1-10-4-5-11(8-12(10)14)17-7-6-15-13(17)9-16(2)3/h4-8H,9H2,1-3H3
InChIKeyFIWHHUPCDUXHOS-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.38
Rot. Bonds3

About 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine

1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 21061674) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
PubChem CID21061674
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(-n2ccnc2CN(C)C)cc1F
InChIInChI=1S/C13H16FN3/c1-10-4-5-11(8-12(10)14)17-7-6-15-13(17)9-16(2)3/h4-8H,9H2,1-3H3
InChIKeyFIWHHUPCDUXHOS-UHFFFAOYSA-N
XLogP2.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine (CID 21061674) is 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine is Cc1ccc(-n2ccnc2CN(C)C)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is FIWHHUPCDUXHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-4-5-11(8-12(10)14)17-7-6-15-13(17)9-16(2)3/h4-8H,9H2,1-3H3.
What are the key properties of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine?
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).