5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine

C17H15BrFN3 — CID 3605721

IUPAC5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(F)c1
InChIInChI=1S/C17H15BrFN3/c1-22-16(13-5-7-14(18)8-6-13)11-21-17(22)20-10-12-3-2-4-15(19)9-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyITZQSXGCDDSHOR-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine

5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 3605721) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID3605721
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC Name5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(F)c1
InChIInChI=1S/C17H15BrFN3/c1-22-16(13-5-7-14(18)8-6-13)11-21-17(22)20-10-12-3-2-4-15(19)9-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyITZQSXGCDDSHOR-UHFFFAOYSA-N
XLogP4.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine (CID 3605721) is 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(F)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is ITZQSXGCDDSHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-22-16(13-5-7-14(18)8-6-13)11-21-17(22)20-10-12-3-2-4-15(19)9-12/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine?
5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 360.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 3605721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).