[3-(4-fluorophenyl)imidazol-4-yl]methanamine

C10H10FN3 — CID 82504796

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-7-13-6-10(14)5-12/h1-4,6-7H,5,12H2
InChIKeyRJBFGOVACIHERD-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.47
Rot. Bonds2

About [3-(4-fluorophenyl)imidazol-4-yl]methanamine

[3-(4-fluorophenyl)imidazol-4-yl]methanamine (PubChem CID 82504796) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]methanamine
PubChem CID82504796
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-7-13-6-10(14)5-12/h1-4,6-7H,5,12H2
InChIKeyRJBFGOVACIHERD-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(aminomethyl)imidazol-1-yl]phenol
CID 84662013
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine
CID 114716863
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]methanamine
CID 114702865
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 121199545
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]methanamine (CID 82504796) is [3-(4-fluorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]methanamine is NCc1cncn1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]methanamine?
The InChIKey is RJBFGOVACIHERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c11-8-1-3-9(4-2-8)14-7-13-6-10(14)5-12/h1-4,6-7H,5,12H2.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]methanamine?
[3-(4-fluorophenyl)imidazol-4-yl]methanamine has a molecular weight of 191.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82504796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).