1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine

C15H15BrN4 — CID 104824154

IUPAC1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2cccc(Br)c2)cn1
InChIInChI=1S/C15H15BrN4/c1-10-5-6-11(8-18-10)14-9-19-15(17)20(14)13-4-2-3-12(16)7-13/h2-8,14H,9H2,1H3,(H2,17,19)
InChIKeyBOSPGYVUMZVXBA-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine (PubChem CID 104824154) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine
PubChem CID104824154
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2c2cccc(Br)c2)cn1
InChIInChI=1S/C15H15BrN4/c1-10-5-6-11(8-18-10)14-9-19-15(17)20(14)13-4-2-3-12(16)7-13/h2-8,14H,9H2,1H3,(H2,17,19)
InChIKeyBOSPGYVUMZVXBA-UHFFFAOYSA-N
XLogP3.03
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine (CID 104824154) is 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine is Cc1ccc(C2CN=C(N)N2c2cccc(Br)c2)cn1.
What is the InChIKey of 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is BOSPGYVUMZVXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-5-6-11(8-18-10)14-9-19-15(17)20(14)13-4-2-3-12(16)7-13/h2-8,14H,9H2,1H3,(H2,17,19).
What are the key properties of 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 104824154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).