3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline

C15H12FN3 — CID 103386906

IUPAC3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C15H12FN3/c16-12-6-4-10(5-7-12)14-9-18-15(19-14)11-2-1-3-13(17)8-11/h1-9H,17H2,(H,18,19)
InChIKeyMIJUQWQOUFBCLV-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.46
Rot. Bonds2

About 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline

3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 103386906) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
PubChem CID103386906
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C15H12FN3/c16-12-6-4-10(5-7-12)14-9-18-15(19-14)11-2-1-3-13(17)8-11/h1-9H,17H2,(H,18,19)
InChIKeyMIJUQWQOUFBCLV-UHFFFAOYSA-N
XLogP3.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
2-(3-aminophenyl)-1H-imidazol-5-ol
CID 82468148
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873
3-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]phenol
CID 25192186
3-(5-propyl-1H-imidazol-2-yl)aniline
CID 116877695
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
3-[2-(4-fluorophenyl)-4-pyridinyl]aniline
CID 175199731
3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
CID 100802212
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
5-(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
CID 99963188

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline (CID 103386906) is 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is Nc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is MIJUQWQOUFBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-6-4-10(5-7-12)14-9-18-15(19-14)11-2-1-3-13(17)8-11/h1-9H,17H2,(H,18,19).
What are the key properties of 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline?
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 253.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 103386906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).