1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

C15H18BrN5 — CID 79502490

IUPAC1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)n1cncc1C1CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C15H18BrN5/c1-10(2)20-9-18-7-13(20)14-8-19-15(17)21(14)12-5-3-4-11(16)6-12/h3-7,9-10,14H,8H2,1-2H3,(H2,17,19)
InChIKeyHUASBVDLLRWOQK-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79502490) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79502490
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)n1cncc1C1CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C15H18BrN5/c1-10(2)20-9-18-7-13(20)14-8-19-15(17)21(14)12-5-3-4-11(16)6-12/h3-7,9-10,14H,8H2,1-2H3,(H2,17,19)
InChIKeyHUASBVDLLRWOQK-UHFFFAOYSA-N
XLogP3.10
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79502490) is 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is CC(C)n1cncc1C1CN=C(N)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HUASBVDLLRWOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-10(2)20-9-18-7-13(20)14-8-19-15(17)21(14)12-5-3-4-11(16)6-12/h3-7,9-10,14H,8H2,1-2H3,(H2,17,19).
What are the key properties of 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 348.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(3-propan-2-ylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79502490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).