1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

C19H19BrN2O3 — CID 3158778

IUPAC1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2cnc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C19H19BrN2O3/c1-24-17-6-8-18(9-7-17)25-12-16(23)10-22-11-19(21-13-22)14-2-4-15(20)5-3-14/h2-9,11,13,16,23H,10,12H2,1H3
InChIKeyBUQNIPORAYYNIA-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.76
Rot. Bonds7

About 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 3158778) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID3158778
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2cnc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C19H19BrN2O3/c1-24-17-6-8-18(9-7-17)25-12-16(23)10-22-11-19(21-13-22)14-2-4-15(20)5-3-14/h2-9,11,13,16,23H,10,12H2,1H3
InChIKeyBUQNIPORAYYNIA-UHFFFAOYSA-N
XLogP3.76
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol (CID 3158778) is 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)Cn2cnc(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is BUQNIPORAYYNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-24-17-6-8-18(9-7-17)25-12-16(23)10-22-11-19(21-13-22)14-2-4-15(20)5-3-14/h2-9,11,13,16,23H,10,12H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol?
1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 403.28 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)imidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 3158778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).