3-(3-fluorophenyl)imidazol-4-amine

C9H8FN3 — CID 172993457

IUPAC3-(3-fluorophenyl)imidazol-4-amine
SMILESNc1cncn1-c1cccc(F)c1
InChIInChI=1S/C9H8FN3/c10-7-2-1-3-8(4-7)13-6-12-5-9(13)11/h1-6H,11H2
InChIKeyPMYZLRRRCQVRBR-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.59
Rot. Bonds1

About 3-(3-fluorophenyl)imidazol-4-amine

3-(3-fluorophenyl)imidazol-4-amine (PubChem CID 172993457) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-(3-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)imidazol-4-amine
PubChem CID172993457
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name3-(3-fluorophenyl)imidazol-4-amine
SMILESNc1cncn1-c1cccc(F)c1
InChIInChI=1S/C9H8FN3/c10-7-2-1-3-8(4-7)13-6-12-5-9(13)11/h1-6H,11H2
InChIKeyPMYZLRRRCQVRBR-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
CID 83896438
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
2-(3-fluorophenyl)benzotriazol-5-amine
CID 163367308
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
CID 82082768
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
3-tert-butyl-1-(3-fluorophenyl)-1,2,4-triazole
CID 146480400

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)imidazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)imidazol-4-amine (CID 172993457) is 3-(3-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)imidazol-4-amine is Nc1cncn1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)imidazol-4-amine?
The InChIKey is PMYZLRRRCQVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-7-2-1-3-8(4-7)13-6-12-5-9(13)11/h1-6H,11H2.
What are the key properties of 3-(3-fluorophenyl)imidazol-4-amine?
3-(3-fluorophenyl)imidazol-4-amine has a molecular weight of 177.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 172993457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).