5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine

C14H20BrFN4 — CID 82972868

IUPAC5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyHXVSPAKXGURWMP-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.00
Rot. Bonds4

About 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine

5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (PubChem CID 82972868) has the molecular formula C14H20BrFN4 and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
PubChem CID82972868
Molecular FormulaC14H20BrFN4
Molecular Weight343.24 g/mol
Exact Mass342.09
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyHXVSPAKXGURWMP-UHFFFAOYSA-N
XLogP2.00
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine (CID 82972868) is 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is CN(C)CCN1C(N)=NCC1(C)c1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
The InChIKey is HXVSPAKXGURWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN4/c1-14(11-8-10(15)4-5-12(11)16)9-18-13(17)20(14)7-6-19(2)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine?
5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine has a molecular weight of 343.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 82972868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).