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

C16H14FN3 — CID 116877873

IUPAC[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(-c3cccc(F)c3)[nH]2)cc1
InChIInChI=1S/C16H14FN3/c17-14-3-1-2-13(8-14)15-10-19-16(20-15)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2,(H,19,20)
InChIKeyHQQBMARAIROGRC-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.34
Rot. Bonds3

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

[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine (PubChem CID 116877873) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
PubChem CID116877873
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(-c3cccc(F)c3)[nH]2)cc1
InChIInChI=1S/C16H14FN3/c17-14-3-1-2-13(8-14)15-10-19-16(20-15)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2,(H,19,20)
InChIKeyHQQBMARAIROGRC-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 157070146
[4-(5-pyridin-4-yl-1H-imidazol-2-yl)phenyl]methanamine
CID 116877877
[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70194628
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
5-bromo-2-(3-fluorophenyl)-1H-imidazole
CID 117259232
5-chloro-2-(3-fluorophenyl)-1H-imidazole
CID 55264125
[2-(3-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 10081278
1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108684
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine (CID 116877873) is [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(-c3cccc(F)c3)[nH]2)cc1.
What is the InChIKey of [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine?
The InChIKey is HQQBMARAIROGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-14-3-1-2-13(8-14)15-10-19-16(20-15)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2,(H,19,20).
What are the key properties of [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine?
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 116877873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).