5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine

C20H22BrN3O — CID 141178341

IUPAC5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine
SMILESNC1=NC(c2ccccc2)(c2cccc(Br)c2)CN1CC1CCCO1
InChIInChI=1S/C20H22BrN3O/c21-17-9-4-8-16(12-17)20(15-6-2-1-3-7-15)14-24(19(22)23-20)13-18-10-5-11-25-18/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,22,23)
InChIKeyGZIZTAIBGLMHKB-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine

5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine (PubChem CID 141178341) has the molecular formula C20H22BrN3O and a molecular weight of 400.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine
PubChem CID141178341
Molecular FormulaC20H22BrN3O
Molecular Weight400.32 g/mol
Exact Mass399.09
IUPAC Name5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine
SMILESNC1=NC(c2ccccc2)(c2cccc(Br)c2)CN1CC1CCCO1
InChIInChI=1S/C20H22BrN3O/c21-17-9-4-8-16(12-17)20(15-6-2-1-3-7-15)14-24(19(22)23-20)13-18-10-5-11-25-18/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,22,23)
InChIKeyGZIZTAIBGLMHKB-UHFFFAOYSA-N
XLogP3.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine (CID 141178341) is 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine is NC1=NC(c2ccccc2)(c2cccc(Br)c2)CN1CC1CCCO1.
What is the InChIKey of 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine?
The InChIKey is GZIZTAIBGLMHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O/c21-17-9-4-8-16(12-17)20(15-6-2-1-3-7-15)14-24(19(22)23-20)13-18-10-5-11-25-18/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,22,23).
What are the key properties of 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine?
5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine has a molecular weight of 400.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine is sourced from PubChem (CID 141178341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).