1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine

C11H12FN3 — CID 106558883

IUPAC1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C11H12FN3/c1-8-6-15(11(13)14-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyNGHCUIVGTBOZKY-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.96
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine

1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106558883) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106558883
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)cc2)c(N)n1
InChIInChI=1S/C11H12FN3/c1-8-6-15(11(13)14-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyNGHCUIVGTBOZKY-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562547
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
4-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573735
4-methyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561413
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 53403357
[1-[(4-fluorophenyl)methyl]imidazol-2-yl]hydrazine
CID 174374268
1-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520207
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
CID 79787093

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine (CID 106558883) is 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine is Cc1cn(Cc2ccc(F)cc2)c(N)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is NGHCUIVGTBOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-6-15(11(13)14-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine?
1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 205.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106558883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).