[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C14H15BrFN3O — CID 114717791

IUPAC[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1-c1ccc(F)cc1Br)C1CCOC1
InChIInChI=1S/C14H15BrFN3O/c15-11-5-10(16)1-2-12(11)19-8-18-6-13(19)14(17)9-3-4-20-7-9/h1-2,5-6,8-9,14H,3-4,7,17H2
InChIKeyXTWBGPIDAHFTLR-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.81
Rot. Bonds3

About [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717791) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717791
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1-c1ccc(F)cc1Br)C1CCOC1
InChIInChI=1S/C14H15BrFN3O/c15-11-5-10(16)1-2-12(11)19-8-18-6-13(19)14(17)9-3-4-20-7-9/h1-2,5-6,8-9,14H,3-4,7,17H2
InChIKeyXTWBGPIDAHFTLR-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720771
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
CID 107138851

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717791) is [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is NC(c1cncn1-c1ccc(F)cc1Br)C1CCOC1.
What is the InChIKey of [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is XTWBGPIDAHFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c15-11-5-10(16)1-2-12(11)19-8-18-6-13(19)14(17)9-3-4-20-7-9/h1-2,5-6,8-9,14H,3-4,7,17H2.
What are the key properties of [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 340.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).