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

C11H12FN3 — CID 53403357

IUPAC4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1cc(Cc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H12FN3/c1-15-7-10(14-11(15)13)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyRCXPEMZDWBACPI-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.73
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 53403357) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID53403357
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1cc(Cc2ccc(F)cc2)nc1N
InChIInChI=1S/C11H12FN3/c1-15-7-10(14-11(15)13)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyRCXPEMZDWBACPI-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-1-methylimidazol-4-ol
CID 106952479
6-bromo-2-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 94964278
4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90392955
2-[(4-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 117137460
1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106558883
4-[(2-methoxyphenoxy)methyl]-1-methylimidazol-2-amine
CID 117191477
2-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117158170
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115395245
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489
2-benzyl-9-fluoroimidazo[1,2-c]quinazolin-5-amine
CID 138689461
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065016

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (CID 53403357) is 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is Cn1cc(Cc2ccc(F)cc2)nc1N.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is RCXPEMZDWBACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-7-10(14-11(15)13)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 205.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 53403357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).